N-(6-oxo-1H-pyridin-3-yl)-1-propylpyrrolidine-2-carboxamide

C13H19N3O2 — CID 172840482

IUPACN-(6-oxo-1H-pyridin-3-yl)-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CCCC1C(=O)Nc1ccc(=O)[nH]c1
InChIInChI=1S/C13H19N3O2/c1-2-7-16-8-3-4-11(16)13(18)15-10-5-6-12(17)14-9-10/h5-6,9,11H,2-4,7-8H2,1H3,(H,14,17)(H,15,18)
InChIKeyWSMHEFILXDNBBU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.19
Rot. Bonds4

About N-(6-oxo-1H-pyridin-3-yl)-1-propylpyrrolidine-2-carboxamide

N-(6-oxo-1H-pyridin-3-yl)-1-propylpyrrolidine-2-carboxamide (PubChem CID 172840482) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridin-3-yl)-1-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridin-3-yl)-1-propylpyrrolidine-2-carboxamide
PubChem CID172840482
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(6-oxo-1H-pyridin-3-yl)-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CCCC1C(=O)Nc1ccc(=O)[nH]c1
InChIInChI=1S/C13H19N3O2/c1-2-7-16-8-3-4-11(16)13(18)15-10-5-6-12(17)14-9-10/h5-6,9,11H,2-4,7-8H2,1H3,(H,14,17)(H,15,18)
InChIKeyWSMHEFILXDNBBU-UHFFFAOYSA-N
XLogP1.19
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-1-propylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 129407602
(2R)-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 142459881
N-(6-oxo-1H-pyridin-3-yl)cyclopropanecarboxamide
CID 110724856
N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide
CID 86964206
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;chloride;hydrate
CID 170923314
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 6918111
(2S)-N-(4-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
CID 24892800
(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide
CID 97098726
N-(4-bromophenyl)-1-ethylpiperidine-2-carboxamide
CID 47074748
1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide
CID 60563181
(2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119369844
(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide
CID 67953357

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyridin-3-yl)-1-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(6-oxo-1H-pyridin-3-yl)-1-propylpyrrolidine-2-carboxamide (CID 172840482) is N-(6-oxo-1H-pyridin-3-yl)-1-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6-oxo-1H-pyridin-3-yl)-1-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(6-oxo-1H-pyridin-3-yl)-1-propylpyrrolidine-2-carboxamide is CCCN1CCCC1C(=O)Nc1ccc(=O)[nH]c1.
What is the InChIKey of N-(6-oxo-1H-pyridin-3-yl)-1-propylpyrrolidine-2-carboxamide?
The InChIKey is WSMHEFILXDNBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-7-16-8-3-4-11(16)13(18)15-10-5-6-12(17)14-9-10/h5-6,9,11H,2-4,7-8H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(6-oxo-1H-pyridin-3-yl)-1-propylpyrrolidine-2-carboxamide?
N-(6-oxo-1H-pyridin-3-yl)-1-propylpyrrolidine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1H-pyridin-3-yl)-1-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 172840482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).