1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-2-oxo-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide

C24H31N3O3 — CID 92635828

IUPAC1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-2-oxo-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
SMILESC[C@@H](CN(C)C(=O)c1cccn(CC(=O)NC2CCCCC2)c1=O)c1ccccc1
InChIInChI=1S/C24H31N3O3/c1-18(19-10-5-3-6-11-19)16-26(2)23(29)21-14-9-15-27(24(21)30)17-22(28)25-20-12-7-4-8-13-20/h3,5-6,9-11,14-15,18,20H,4,7-8,12-13,16-17H2,1-2H3,(H,25,28)/t18-/m0/s1
InChIKeyUOQGZUZMFGXCCU-SFHVURJKSA-N
MW409.53 g/mol
LogP3.17
Rot. Bonds7

About 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-2-oxo-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide

1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-2-oxo-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide (PubChem CID 92635828) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-2-oxo-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-2-oxo-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
PubChem CID92635828
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-2-oxo-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
SMILESC[C@@H](CN(C)C(=O)c1cccn(CC(=O)NC2CCCCC2)c1=O)c1ccccc1
InChIInChI=1S/C24H31N3O3/c1-18(19-10-5-3-6-11-19)16-26(2)23(29)21-14-9-15-27(24(21)30)17-22(28)25-20-12-7-4-8-13-20/h3,5-6,9-11,14-15,18,20H,4,7-8,12-13,16-17H2,1-2H3,(H,25,28)/t18-/m0/s1
InChIKeyUOQGZUZMFGXCCU-SFHVURJKSA-N
XLogP3.17
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-2-oxo-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
CID 92635837
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 30635957
N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide
CID 22334244
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 92635227
5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26343862
N-cyclopentyl-1-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92632183
N-cyclohexyl-2-[3-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
CID 110246846
N-cyclohexyl-1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635339
N-cyclopentyl-2-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
CID 92635216
2-[3-[2-acetyl-6-(2-methylpropyl)-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-triene-9-carbonyl]-2-oxo-1-pyridinyl]-N-cyclohexylacetamide
CID 133071909
N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide
CID 1250894

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-2-oxo-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide?
The IUPAC name of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-2-oxo-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide (CID 92635828) is 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-2-oxo-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-2-oxo-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-2-oxo-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide is C[C@@H](CN(C)C(=O)c1cccn(CC(=O)NC2CCCCC2)c1=O)c1ccccc1.
What is the InChIKey of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-2-oxo-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide?
The InChIKey is UOQGZUZMFGXCCU-SFHVURJKSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-18(19-10-5-3-6-11-19)16-26(2)23(29)21-14-9-15-27(24(21)30)17-22(28)25-20-12-7-4-8-13-20/h3,5-6,9-11,14-15,18,20H,4,7-8,12-13,16-17H2,1-2H3,(H,25,28)/t18-/m0/s1.
What are the key properties of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-2-oxo-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide?
1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-2-oxo-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-2-oxo-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide is sourced from PubChem (CID 92635828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).