N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide

C18H27N3O2 — CID 72847325

IUPACN-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)[C@H]1CN(CC2CCC2)C[C@@H]1NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C18H27N3O2/c1-12(2)15-10-21(9-13-4-3-5-13)11-16(15)20-18(23)14-6-7-17(22)19-8-14/h6-8,12-13,15-16H,3-5,9-11H2,1-2H3,(H,19,22)(H,20,23)/t15-,16+/m1/s1
InChIKeyWZQXNZHITSEWJQ-CVEARBPZSA-N
MW317.43 g/mol
LogP1.86
Rot. Bonds5

About N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide

N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 72847325) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID72847325
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)[C@H]1CN(CC2CCC2)C[C@@H]1NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C18H27N3O2/c1-12(2)15-10-21(9-13-4-3-5-13)11-16(15)20-18(23)14-6-7-17(22)19-8-14/h6-8,12-13,15-16H,3-5,9-11H2,1-2H3,(H,19,22)(H,20,23)/t15-,16+/m1/s1
InChIKeyWZQXNZHITSEWJQ-CVEARBPZSA-N
XLogP1.86
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 45825162
N-[2-(dimethylamino)-3-ethylpentyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56808777
1-methyl-N-(1-methylpyrrolidin-3-yl)-6-oxopyridine-3-carboxamide
CID 132284452
N-((3S*,4R*)-1-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]acetyl}-4-propyl-3-pyrrolidinyl)acetamide
CID 70781427
5-(8-amino-6-azaspiro[3.4]octane-6-carbonyl)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 137936325
N-(5-azaspiro[3.4]octan-8-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138010898
6-oxo-N-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 57861962
(3-Aminopyrrolidin-1-yl)(6-hydroxypyridin-3-yl)methanone
CID 62069195
4-(cyclobutanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexa-1,5-dien-1-yl]cyclohexa-1,5-diene-1-carboxamide
CID 142931607
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 43089636
5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyridin-2-one
CID 43595491
5-({4-[1-(2,2-Dimethylpropyl)-3-pyrrolidinyl]-1-piperidinyl}carbonyl)-2-pyridinol
CID 45195122

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 72847325) is N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide is CC(C)[C@H]1CN(CC2CCC2)C[C@@H]1NC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WZQXNZHITSEWJQ-CVEARBPZSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12(2)15-10-21(9-13-4-3-5-13)11-16(15)20-18(23)14-6-7-17(22)19-8-14/h6-8,12-13,15-16H,3-5,9-11H2,1-2H3,(H,19,22)(H,20,23)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 72847325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).