1-cyclohexyl-N-cyclopropyl-5-(2-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide

C22H31N3O3 — CID 45240202

IUPAC1-cyclohexyl-N-cyclopropyl-5-(2-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide
SMILESCC1CCCCN1C(=O)c1cn(C2CCCCC2)cc(C(=O)NC2CC2)c1=O
InChIInChI=1S/C22H31N3O3/c1-15-7-5-6-12-25(15)22(28)19-14-24(17-8-3-2-4-9-17)13-18(20(19)26)21(27)23-16-10-11-16/h13-17H,2-12H2,1H3,(H,23,27)
InChIKeyMEWTUAJHSVHWTI-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.26
Rot. Bonds4

About 1-cyclohexyl-N-cyclopropyl-5-(2-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide

1-cyclohexyl-N-cyclopropyl-5-(2-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide (PubChem CID 45240202) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-cyclohexyl-N-cyclopropyl-5-(2-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-cyclopropyl-5-(2-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide
PubChem CID45240202
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name1-cyclohexyl-N-cyclopropyl-5-(2-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide
SMILESCC1CCCCN1C(=O)c1cn(C2CCCCC2)cc(C(=O)NC2CC2)c1=O
InChIInChI=1S/C22H31N3O3/c1-15-7-5-6-12-25(15)22(28)19-14-24(17-8-3-2-4-9-17)13-18(20(19)26)21(27)23-16-10-11-16/h13-17H,2-12H2,1H3,(H,23,27)
InChIKeyMEWTUAJHSVHWTI-UHFFFAOYSA-N
XLogP3.26
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-cyclooctyl-5-(2-methylpiperidine-1-carbonyl)-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 45227332
5-(2-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 45247281
ethyl (3S)-1-[5-(cycloheptylcarbamoyl)-1-cyclopropyl-4-oxopyridine-3-carbonyl]piperidine-3-carboxylate
CID 42247794
2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide
CID 93291101
N-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide
CID 42432926
methyl (2S,3S)-2-[[1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carbonyl]amino]-3-methylpentanoate
CID 28785994
3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide
CID 42540450
1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26336152
N-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide
CID 42463229
N-cyclohexyl-2-methylpiperidine-1-carboxamide;ethane
CID 142002534

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-cyclopropyl-5-(2-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-cyclopropyl-5-(2-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide (CID 45240202) is 1-cyclohexyl-N-cyclopropyl-5-(2-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-cyclopropyl-5-(2-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-cyclopropyl-5-(2-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide is CC1CCCCN1C(=O)c1cn(C2CCCCC2)cc(C(=O)NC2CC2)c1=O.
What is the InChIKey of 1-cyclohexyl-N-cyclopropyl-5-(2-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide?
The InChIKey is MEWTUAJHSVHWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-15-7-5-6-12-25(15)22(28)19-14-24(17-8-3-2-4-9-17)13-18(20(19)26)21(27)23-16-10-11-16/h13-17H,2-12H2,1H3,(H,23,27).
What are the key properties of 1-cyclohexyl-N-cyclopropyl-5-(2-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide?
1-cyclohexyl-N-cyclopropyl-5-(2-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-cyclopropyl-5-(2-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 45240202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).