N-[(3R,5S)-1-butyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C20H32N4O3 — CID 72859449

IUPACN-[(3R,5S)-1-butyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCCCN1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)C[C@H]1C(=O)N(CC)CC
InChIInChI=1S/C20H32N4O3/c1-5-8-9-24-13-15(11-17(24)20(27)23(6-2)7-3)22-19(26)16-12-21-14(4)10-18(16)25/h10,12,15,17H,5-9,11,13H2,1-4H3,(H,21,25)(H,22,26)/t15-,17+/m1/s1
InChIKeyJSEVXZFIBSSKAG-WBVHZDCISA-N
MW376.50 g/mol
LogP1.52
Rot. Bonds8

About N-[(3R,5S)-1-butyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-[(3R,5S)-1-butyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 72859449) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[(3R,5S)-1-butyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-butyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID72859449
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC NameN-[(3R,5S)-1-butyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCCCN1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)C[C@H]1C(=O)N(CC)CC
InChIInChI=1S/C20H32N4O3/c1-5-8-9-24-13-15(11-17(24)20(27)23(6-2)7-3)22-19(26)16-12-21-14(4)10-18(16)25/h10,12,15,17H,5-9,11,13H2,1-4H3,(H,21,25)(H,22,26)/t15-,17+/m1/s1
InChIKeyJSEVXZFIBSSKAG-WBVHZDCISA-N
XLogP1.52
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-amino-1-[(2-hydroxy-5,6,7,8-tetrahydro-3-quinolinyl)carbonyl]-N-isopropyl-2-pyrrolidinecarboxamide
CID 56702131
(4R)-4-amino-N,N-diethyl-1-[(2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-3-yl)carbonyl]-L-prolinamide
CID 56706238
(2S,4R)-4-amino-1-[(2-hydroxy-5,6,7,8-tetrahydro-3-quinolinyl)carbonyl]-N-isopropyl-2-pyrrolidinecarboxamide
CID 56721221
(2S,4S)-4-amino-N,N-diethyl-1-[(2-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)carbonyl]-2-pyrrolidinecarboxamide
CID 56721747
N-cyclopropyl-2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide
CID 42372234
N-{1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl}-1,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxamide
CID 118782015
6-methyl-4-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
CID 127391213
N-cyclopropyl-2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide
CID 45178377
N,2-diethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide
CID 45182859
(4S)-4-amino-N-ethyl-1-[(6-isopropyl-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)carbonyl]-L-prolinamide
CID 56703341
(2S,4S)-4-amino-N,N-diethyl-1-[(6-oxo-1,6-dihydropyridin-3-yl)carbonyl]pyrrolidine-2-carboxamide
CID 56703508
(3S)-N-[(E,4S)-1-amino-1,7-dioxooct-5-en-4-yl]-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxamide
CID 59975151

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-butyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3R,5S)-1-butyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 72859449) is N-[(3R,5S)-1-butyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-butyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-butyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is CCCCN1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)C[C@H]1C(=O)N(CC)CC.
What is the InChIKey of N-[(3R,5S)-1-butyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JSEVXZFIBSSKAG-WBVHZDCISA-N. The full InChI is InChI=1S/C20H32N4O3/c1-5-8-9-24-13-15(11-17(24)20(27)23(6-2)7-3)22-19(26)16-12-21-14(4)10-18(16)25/h10,12,15,17H,5-9,11,13H2,1-4H3,(H,21,25)(H,22,26)/t15-,17+/m1/s1.
What are the key properties of N-[(3R,5S)-1-butyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[(3R,5S)-1-butyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-butyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 72859449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).