5-propanoyl-N-pyrrolidin-3-ylpyridine-2-carboxamide

C13H17N3O2 — CID 177042514

IUPAC5-propanoyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
SMILESCCC(=O)c1ccc(C(=O)NC2CCNC2)nc1
InChIInChI=1S/C13H17N3O2/c1-2-12(17)9-3-4-11(15-7-9)13(18)16-10-5-6-14-8-10/h3-4,7,10,14H,2,5-6,8H2,1H3,(H,16,18)
InChIKeyIEJWPJONTAVCHH-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.77
Rot. Bonds4

About 5-propanoyl-N-pyrrolidin-3-ylpyridine-2-carboxamide

5-propanoyl-N-pyrrolidin-3-ylpyridine-2-carboxamide (PubChem CID 177042514) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-propanoyl-N-pyrrolidin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-propanoyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
PubChem CID177042514
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-propanoyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
SMILESCCC(=O)c1ccc(C(=O)NC2CCNC2)nc1
InChIInChI=1S/C13H17N3O2/c1-2-12(17)9-3-4-11(15-7-9)13(18)16-10-5-6-14-8-10/h3-4,7,10,14H,2,5-6,8H2,1H3,(H,16,18)
InChIKeyIEJWPJONTAVCHH-UHFFFAOYSA-N
XLogP0.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-4-propanoylbenzamide
CID 119388743
5-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 166250475
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide
CID 144819110
1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 103120955
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119451522
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate
CID 31939115

Frequently Asked Questions

What is the IUPAC name of 5-propanoyl-N-pyrrolidin-3-ylpyridine-2-carboxamide?
The IUPAC name of 5-propanoyl-N-pyrrolidin-3-ylpyridine-2-carboxamide (CID 177042514) is 5-propanoyl-N-pyrrolidin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-propanoyl-N-pyrrolidin-3-ylpyridine-2-carboxamide?
The canonical SMILES for 5-propanoyl-N-pyrrolidin-3-ylpyridine-2-carboxamide is CCC(=O)c1ccc(C(=O)NC2CCNC2)nc1.
What is the InChIKey of 5-propanoyl-N-pyrrolidin-3-ylpyridine-2-carboxamide?
The InChIKey is IEJWPJONTAVCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-12(17)9-3-4-11(15-7-9)13(18)16-10-5-6-14-8-10/h3-4,7,10,14H,2,5-6,8H2,1H3,(H,16,18).
What are the key properties of 5-propanoyl-N-pyrrolidin-3-ylpyridine-2-carboxamide?
5-propanoyl-N-pyrrolidin-3-ylpyridine-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propanoyl-N-pyrrolidin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 177042514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).