1-(cyclohexanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-2-carboxamide

C20H29N3O3 — CID 50973488

IUPAC1-(cyclohexanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1c[nH]c(CNC(=O)C2CCCN2C(=O)C2CCCCC2)c(C)c1=O
InChIInChI=1S/C20H29N3O3/c1-13-11-21-16(14(2)18(13)24)12-22-19(25)17-9-6-10-23(17)20(26)15-7-4-3-5-8-15/h11,15,17H,3-10,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyUEFNAUNNYNCEMF-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.18
Rot. Bonds4

About 1-(cyclohexanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-2-carboxamide

1-(cyclohexanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 50973488) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID50973488
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-(cyclohexanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1c[nH]c(CNC(=O)C2CCCN2C(=O)C2CCCCC2)c(C)c1=O
InChIInChI=1S/C20H29N3O3/c1-13-11-21-16(14(2)18(13)24)12-22-19(25)17-9-6-10-23(17)20(26)15-7-4-3-5-8-15/h11,15,17H,3-10,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyUEFNAUNNYNCEMF-UHFFFAOYSA-N
XLogP2.18
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(cyclohexanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-1,2-dihydropyridin-3-yl]cyclohexanecarboxamide
CID 45498148
(2R)-N-[(3S)-3-(4-cyclohexylbutanoyl)-5-oxo-2,3-dihydro-1H-indolizin-6-yl]-2-methylbutanamide
CID 58513877
N-[2-[[(E)-2,5-dimethyl-6-oxohept-4-en-3-yl]-methylamino]-4-methylpent-1-en-3-yl]-5-ethyl-1-methylpiperidine-2-carboxamide
CID 68216208
1-butan-2-yl-N-[1-cyclohexyl-2-[[(E)-2,5-dimethyl-6-oxohept-4-en-3-yl]-methylamino]-2-oxoethyl]piperidine-2-carboxamide
CID 68216274
(2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-methylidenepyrrolidine-2-carboxamide
CID 156374236
3-(Cyclohexylmethyl)-4-methyl-1,3,6,7,8,9-hexahydro-1,4-benzodiazepine-2,5-dione
CID 24871125
5-(cyclohexanecarboxamido)-N,N,1-trimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 45526238
5-(cyclohexanecarboxamido)-N,N-diethyl-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 45526374
5-(cyclohexanecarboxamido)-1-methyl-6-oxo-N,N-dipropyl-1,6-dihydropyridine-3-carboxamide
CID 45526510
5-(cyclohexanecarboxamido)-N,N-diisopropyl-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 45526646
(2S)-1-(cyclohexanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 52395005
(2R)-1-(cyclohexanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 52395006

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclohexanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-2-carboxamide (CID 50973488) is 1-(cyclohexanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclohexanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-2-carboxamide is Cc1c[nH]c(CNC(=O)C2CCCN2C(=O)C2CCCCC2)c(C)c1=O.
What is the InChIKey of 1-(cyclohexanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is UEFNAUNNYNCEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-13-11-21-16(14(2)18(13)24)12-22-19(25)17-9-6-10-23(17)20(26)15-7-4-3-5-8-15/h11,15,17H,3-10,12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 1-(cyclohexanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-2-carboxamide?
1-(cyclohexanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 50973488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).