N-[(3S,4R)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide

C21H31N3O2 — CID 133123800

IUPACN-[(3S,4R)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CN(C3CCCCC3)C[C@H]2C2CC2)c(=O)n1C
InChIInChI=1S/C21H31N3O2/c1-14-8-11-17(21(26)23(14)2)20(25)22-19-13-24(12-18(19)15-9-10-15)16-6-4-3-5-7-16/h8,11,15-16,18-19H,3-7,9-10,12-13H2,1-2H3,(H,22,25)/t18-,19+/m0/s1
InChIKeyJDJSPWFXTNQUOL-RBUKOAKNSA-N
MW357.50 g/mol
LogP2.47
Rot. Bonds4

About N-[(3S,4R)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide

N-[(3S,4R)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 133123800) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[(3S,4R)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID133123800
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[(3S,4R)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CN(C3CCCCC3)C[C@H]2C2CC2)c(=O)n1C
InChIInChI=1S/C21H31N3O2/c1-14-8-11-17(21(26)23(14)2)20(25)22-19-13-24(12-18(19)15-9-10-15)16-6-4-3-5-7-16/h8,11,15-16,18-19H,3-7,9-10,12-13H2,1-2H3,(H,22,25)/t18-,19+/m0/s1
InChIKeyJDJSPWFXTNQUOL-RBUKOAKNSA-N
XLogP2.47
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4R)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide with MolForge

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Related Compounds

N-[(3S,4R)-1-cycloheptyl-4-cyclopropylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 133120733
5-chloro-N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 72885092
N,1,6-trimethyl-2-oxopyridine-3-carboxamide
CID 131179511
N-[(3S,4R)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-oxo-1,2-oxazole-5-carboxamide
CID 133129754
N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide
CID 113394900
4-chloro-N-[(3R,4R)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]benzamide
CID 70565949
N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride
CID 154898235
1-[(1,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 122564246
N-[4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide
CID 156605379
1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one
CID 95606434
N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide;hydrochloride
CID 154897858
N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 154897941

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(3S,4R)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide (CID 133123800) is N-[(3S,4R)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide is Cc1ccc(C(=O)N[C@@H]2CN(C3CCCCC3)C[C@H]2C2CC2)c(=O)n1C.
What is the InChIKey of N-[(3S,4R)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is JDJSPWFXTNQUOL-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-14-8-11-17(21(26)23(14)2)20(25)22-19-13-24(12-18(19)15-9-10-15)16-6-4-3-5-7-16/h8,11,15-16,18-19H,3-7,9-10,12-13H2,1-2H3,(H,22,25)/t18-,19+/m0/s1.
What are the key properties of N-[(3S,4R)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide?
N-[(3S,4R)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 133123800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).