N-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide

C21H32N4O2 — CID 72937755

IUPACN-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccnc2)CN1C1CCCCC1
InChIInChI=1S/C21H32N4O2/c1-3-24(4-2)21(27)19-13-17(15-25(19)18-10-6-5-7-11-18)23-20(26)16-9-8-12-22-14-16/h8-9,12,14,17-19H,3-7,10-11,13,15H2,1-2H3,(H,23,26)/t17-,19+/m1/s1
InChIKeyKNWMLBBUEWNKMG-MJGOQNOKSA-N
MW372.51 g/mol
LogP2.46
Rot. Bonds6

About N-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide

N-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 72937755) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID72937755
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccnc2)CN1C1CCCCC1
InChIInChI=1S/C21H32N4O2/c1-3-24(4-2)21(27)19-13-17(15-25(19)18-10-6-5-7-11-18)23-20(26)16-9-8-12-22-14-16/h8-9,12,14,17-19H,3-7,10-11,13,15H2,1-2H3,(H,23,26)/t17-,19+/m1/s1
InChIKeyKNWMLBBUEWNKMG-MJGOQNOKSA-N
XLogP2.46
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 72854792
N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 156605980
N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide
CID 72844470
N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 72870987
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 72874926
N-cyclopentylpyridine-3-carboxamide
CID 805532
(2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 72840620
(2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide
CID 72852321
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide
CID 72935394
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 72924623
N-(4-ethylcyclohexyl)pyridine-3-carboxamide
CID 25237064
N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide
CID 99987360

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide (CID 72937755) is N-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccnc2)CN1C1CCCCC1.
What is the InChIKey of N-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is KNWMLBBUEWNKMG-MJGOQNOKSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-3-24(4-2)21(27)19-13-17(15-25(19)18-10-6-5-7-11-18)23-20(26)16-9-8-12-22-14-16/h8-9,12,14,17-19H,3-7,10-11,13,15H2,1-2H3,(H,23,26)/t17-,19+/m1/s1.
What are the key properties of N-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
N-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 72937755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).