N-cyclopentyl-1-(3-methylbutyl)-4-oxo-5-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridine-3-carboxamide

C27H36N4O3 — CID 42171259

IUPACN-cyclopentyl-1-(3-methylbutyl)-4-oxo-5-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCC(C)CCn1cc(C(=O)NC2CCCC2)c(=O)c(C(=O)N2CCCC[C@@H]2c2cccnc2)c1
InChIInChI=1S/C27H36N4O3/c1-19(2)12-15-30-17-22(26(33)29-21-9-3-4-10-21)25(32)23(18-30)27(34)31-14-6-5-11-24(31)20-8-7-13-28-16-20/h7-8,13,16-19,21,24H,3-6,9-12,14-15H2,1-2H3,(H,29,33)/t24-/m1/s1
InChIKeyPXOCWFGAJBUCMH-XMMPIXPASA-N
MW464.61 g/mol
LogP4.33
Rot. Bonds7

About N-cyclopentyl-1-(3-methylbutyl)-4-oxo-5-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridine-3-carboxamide

N-cyclopentyl-1-(3-methylbutyl)-4-oxo-5-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 42171259) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-cyclopentyl-1-(3-methylbutyl)-4-oxo-5-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(3-methylbutyl)-4-oxo-5-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridine-3-carboxamide
PubChem CID42171259
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC NameN-cyclopentyl-1-(3-methylbutyl)-4-oxo-5-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCC(C)CCn1cc(C(=O)NC2CCCC2)c(=O)c(C(=O)N2CCCC[C@@H]2c2cccnc2)c1
InChIInChI=1S/C27H36N4O3/c1-19(2)12-15-30-17-22(26(33)29-21-9-3-4-10-21)25(32)23(18-30)27(34)31-14-6-5-11-24(31)20-8-7-13-28-16-20/h7-8,13,16-19,21,24H,3-6,9-12,14-15H2,1-2H3,(H,29,33)/t24-/m1/s1
InChIKeyPXOCWFGAJBUCMH-XMMPIXPASA-N
XLogP4.33
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-1-(3-methylbutyl)-4-oxo-5-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 45195904
N-cyclooctyl-5-(2-methylpiperidine-1-carbonyl)-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 45227332
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
5-N-cyclopentyl-3-N-(2,2-dimethyloxan-4-yl)-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide
CID 45249695
2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one
CID 74249642
5-(azepane-1-carbonyl)-N-cyclooctyl-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 26278147
N-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide
CID 95121735
4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 14233094
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97193301
N-cyclooctyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-methoxyethyl)-4-oxopyridine-3-carboxamide
CID 26281992
1-(2-methoxyethyl)-4,6-dimethyl-3-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridin-2-one
CID 125299164

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(3-methylbutyl)-4-oxo-5-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-(3-methylbutyl)-4-oxo-5-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridine-3-carboxamide (CID 42171259) is N-cyclopentyl-1-(3-methylbutyl)-4-oxo-5-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(3-methylbutyl)-4-oxo-5-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(3-methylbutyl)-4-oxo-5-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridine-3-carboxamide is CC(C)CCn1cc(C(=O)NC2CCCC2)c(=O)c(C(=O)N2CCCC[C@@H]2c2cccnc2)c1.
What is the InChIKey of N-cyclopentyl-1-(3-methylbutyl)-4-oxo-5-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is PXOCWFGAJBUCMH-XMMPIXPASA-N. The full InChI is InChI=1S/C27H36N4O3/c1-19(2)12-15-30-17-22(26(33)29-21-9-3-4-10-21)25(32)23(18-30)27(34)31-14-6-5-11-24(31)20-8-7-13-28-16-20/h7-8,13,16-19,21,24H,3-6,9-12,14-15H2,1-2H3,(H,29,33)/t24-/m1/s1.
What are the key properties of N-cyclopentyl-1-(3-methylbutyl)-4-oxo-5-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridine-3-carboxamide?
N-cyclopentyl-1-(3-methylbutyl)-4-oxo-5-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 464.61 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(3-methylbutyl)-4-oxo-5-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 42171259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).