1-cyclopentyl-5-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide

C27H35N5O4 — CID 42471912

IUPAC1-cyclopentyl-5-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCOc1ccc2nc(CCNC(=O)c3cn(C4CCCC4)cc(C(=O)N(C)CC(C)C)c3=O)[nH]c2c1
InChIInChI=1S/C27H35N5O4/c1-17(2)14-31(3)27(35)21-16-32(18-7-5-6-8-18)15-20(25(21)33)26(34)28-12-11-24-29-22-10-9-19(36-4)13-23(22)30-24/h9-10,13,15-18H,5-8,11-12,14H2,1-4H3,(H,28,34)(H,29,30)
InChIKeyUIDGAUIWUUPIHY-UHFFFAOYSA-N
MW493.61 g/mol
LogP3.55
Rot. Bonds9

About 1-cyclopentyl-5-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide

1-cyclopentyl-5-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide (PubChem CID 42471912) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is 1-cyclopentyl-5-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-cyclopentyl-5-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
PubChem CID42471912
Molecular FormulaC27H35N5O4
Molecular Weight493.61 g/mol
Exact Mass493.27
IUPAC Name1-cyclopentyl-5-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCOc1ccc2nc(CCNC(=O)c3cn(C4CCCC4)cc(C(=O)N(C)CC(C)C)c3=O)[nH]c2c1
InChIInChI=1S/C27H35N5O4/c1-17(2)14-31(3)27(35)21-16-32(18-7-5-6-8-18)15-20(25(21)33)26(34)28-12-11-24-29-22-10-9-19(36-4)13-23(22)30-24/h9-10,13,15-18H,5-8,11-12,14H2,1-4H3,(H,28,34)(H,29,30)
InChIKeyUIDGAUIWUUPIHY-UHFFFAOYSA-N
XLogP3.55
TPSA109.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26339286
1-cyclopentyl-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-5-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 25290661
3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide
CID 42540450
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46937550
1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26336152
(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide
CID 125179788
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide
CID 119069776
1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 70728714
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide
CID 42195933
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]acetamide
CID 77089120
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methoxy-1-propan-2-ylindole-3-carboxamide
CID 71709732

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-cyclopentyl-5-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide (CID 42471912) is 1-cyclopentyl-5-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-cyclopentyl-5-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-cyclopentyl-5-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide is COc1ccc2nc(CCNC(=O)c3cn(C4CCCC4)cc(C(=O)N(C)CC(C)C)c3=O)[nH]c2c1.
What is the InChIKey of 1-cyclopentyl-5-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is UIDGAUIWUUPIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O4/c1-17(2)14-31(3)27(35)21-16-32(18-7-5-6-8-18)15-20(25(21)33)26(34)28-12-11-24-29-22-10-9-19(36-4)13-23(22)30-24/h9-10,13,15-18H,5-8,11-12,14H2,1-4H3,(H,28,34)(H,29,30).
What are the key properties of 1-cyclopentyl-5-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
1-cyclopentyl-5-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 493.61 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 42471912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).