1-cyclopentyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide

C30H34N4O3 — CID 42471917

IUPAC1-cyclopentyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCc1ccc([C@H](NC(=O)c2cn(C3CCCC3)cc(C(=O)N3CCCCC3)c2=O)c2ccncc2)cc1
InChIInChI=1S/C30H34N4O3/c1-21-9-11-22(12-10-21)27(23-13-15-31-16-14-23)32-29(36)25-19-34(24-7-3-4-8-24)20-26(28(25)35)30(37)33-17-5-2-6-18-33/h9-16,19-20,24,27H,2-8,17-18H2,1H3,(H,32,36)/t27-/m0/s1
InChIKeyAWUCYPVIJMWZKH-MHZLTWQESA-N
MW498.63 g/mol
LogP4.81
Rot. Bonds6

About 1-cyclopentyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide

1-cyclopentyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 42471917) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
PubChem CID42471917
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC Name1-cyclopentyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCc1ccc([C@H](NC(=O)c2cn(C3CCCC3)cc(C(=O)N3CCCCC3)c2=O)c2ccncc2)cc1
InChIInChI=1S/C30H34N4O3/c1-21-9-11-22(12-10-21)27(23-13-15-31-16-14-23)32-29(36)25-19-34(24-7-3-4-8-24)20-26(28(25)35)30(37)33-17-5-2-6-18-33/h9-16,19-20,24,27H,2-8,17-18H2,1H3,(H,32,36)/t27-/m0/s1
InChIKeyAWUCYPVIJMWZKH-MHZLTWQESA-N
XLogP4.81
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide with MolForge

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Related Compounds

1-cyclohexyl-4-oxo-N-[(R)-phenyl(pyridin-4-yl)methyl]-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 26277522
N-[(4-methylphenyl)-pyridin-4-ylmethyl]azepane-1-carboxamide
CID 121498350
1-cyclohexyl-N-cyclopentyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 26339108
N-cyclohexyl-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 42499907
1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 26322269
1-cyclohexyl-3-(4-phenylpiperidine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)pyridin-4-one
CID 42458784
N-tert-butyl-1-cyclohexyl-5-(4-cyclopentylpiperazine-1-carbonyl)-4-oxopyridine-3-carboxamide
CID 26345811
N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide
CID 124751214
1-(cyclohexylmethyl)-5-N-ethyl-4-oxo-3-N-[phenyl(pyridin-4-yl)methyl]pyridine-3,5-dicarboxamide
CID 45226945
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 26348462
1-cyclopentyl-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 26359751
1-cyclopentyl-5-N-ethyl-3-N-[furan-2-yl(phenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 45232910

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide (CID 42471917) is 1-cyclopentyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide is Cc1ccc([C@H](NC(=O)c2cn(C3CCCC3)cc(C(=O)N3CCCCC3)c2=O)c2ccncc2)cc1.
What is the InChIKey of 1-cyclopentyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is AWUCYPVIJMWZKH-MHZLTWQESA-N. The full InChI is InChI=1S/C30H34N4O3/c1-21-9-11-22(12-10-21)27(23-13-15-31-16-14-23)32-29(36)25-19-34(24-7-3-4-8-24)20-26(28(25)35)30(37)33-17-5-2-6-18-33/h9-16,19-20,24,27H,2-8,17-18H2,1H3,(H,32,36)/t27-/m0/s1.
What are the key properties of 1-cyclopentyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
1-cyclopentyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 498.63 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 42471917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).