N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide
Thuốc Gốc
Small Molecule
CTHH: C21H26N4O2
PTK: 366.4567
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
366.4567
Monoisotopic mass
366.205576096
InChI
InChI=1S/C21H26N4O2/c1-14-6-7-16(20(26)23-11-10-15-4-2-3-5-15)12-18(14)21(27)25-17-8-9-19(22)24-13-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,22,24)(H,23,26)(H,25,27)
InChI Key
InChIKey=CLEGTVIMOPPIBR-UHFFFAOYSA-N
IUPAC Name
3-N-(6-aminopyridin-3-yl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide
Traditional IUPAC Name
3-N-(6-aminopyridin-3-yl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide
SMILES
CC1=CC=C(C=C1C(=O)NC1=CN=C(N)C=C1)C(=O)NCCC1CCCC1
Độ hòa tan
6.62e-03 g/l
logP
3.24
logS
-4.7
pKa (strongest acidic)
11.75
pKa (Strongest Basic)
5.88
PSA
97.11 Å2
Refractivity
109.29 m3·mol-1
Polarizability
41.64 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading