1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide

C13H19N3O — CID 59706248

IUPAC1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1CCCC1C(=O)Nc1ccccn1
InChIInChI=1S/C13H19N3O/c1-10(2)16-9-5-6-11(16)13(17)15-12-7-3-4-8-14-12/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,14,15,17)
InChIKeyCSUZKVKEPRLENF-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.89
Rot. Bonds3

About 1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide

1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide (PubChem CID 59706248) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide
PubChem CID59706248
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1CCCC1C(=O)Nc1ccccn1
InChIInChI=1S/C13H19N3O/c1-10(2)16-9-5-6-11(16)13(17)15-12-7-3-4-8-14-12/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,14,15,17)
InChIKeyCSUZKVKEPRLENF-UHFFFAOYSA-N
XLogP1.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 159988634
(2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide
CID 125331278
(2R)-N-[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-[1-[(2R)-2-[[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]carbamoyl]pyrrolidin-1-yl]cyclopenta-2,4-dien-1-yl]pyrrolidine-2-carboxamide
CID 101387010
(2R)-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799494
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 111784685
cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 756841
N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide
CID 21355300
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997
(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55816261
1-methyl-N-pyridin-2-yl-2-(triazol-1-yl)piperidine-3-carboxamide
CID 67522359
(2S)-1-[(2S)-3-methyl-2-(pyridin-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid
CID 70302822

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide (CID 59706248) is 1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide is CC(C)N1CCCC1C(=O)Nc1ccccn1.
What is the InChIKey of 1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is CSUZKVKEPRLENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(2)16-9-5-6-11(16)13(17)15-12-7-3-4-8-14-12/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,14,15,17).
What are the key properties of 1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide?
1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 59706248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).