(2S)-1-(5-cyano-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide

C14H16N4O — CID 32877843

IUPAC(2S)-1-(5-cyano-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESN#Cc1ccc(N2CCC[C@H]2C(=O)NC2CC2)nc1
InChIInChI=1S/C14H16N4O/c15-8-10-3-6-13(16-9-10)18-7-1-2-12(18)14(19)17-11-4-5-11/h3,6,9,11-12H,1-2,4-5,7H2,(H,17,19)/t12-/m0/s1
InChIKeyYPMHZNYWZPOZLR-LBPRGKRZSA-N
MW256.31 g/mol
LogP1.20
Rot. Bonds3

About (2S)-1-(5-cyano-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide

(2S)-1-(5-cyano-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 32877843) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (2S)-1-(5-cyano-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(5-cyano-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID32877843
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(2S)-1-(5-cyano-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESN#Cc1ccc(N2CCC[C@H]2C(=O)NC2CC2)nc1
InChIInChI=1S/C14H16N4O/c15-8-10-3-6-13(16-9-10)18-7-1-2-12(18)14(19)17-11-4-5-11/h3,6,9,11-12H,1-2,4-5,7H2,(H,17,19)/t12-/m0/s1
InChIKeyYPMHZNYWZPOZLR-LBPRGKRZSA-N
XLogP1.20
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 30078852
1-(5-acetyl-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 91650969
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
(2R)-1-(6-cyano-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 99636693
N-cyclopropyl-1-pyridin-2-ylpyrrolidine-2-carboxamide
CID 91662065
1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
CID 166298734
4-(5-cyano-2-pyridinyl)-N-cyclopropylmorpholine-2-carboxamide
CID 155942289
6-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 95303369
6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
CID 62662719
6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133279943
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate
CID 50986487

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-cyano-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(5-cyano-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide (CID 32877843) is (2S)-1-(5-cyano-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(5-cyano-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(5-cyano-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide is N#Cc1ccc(N2CCC[C@H]2C(=O)NC2CC2)nc1.
What is the InChIKey of (2S)-1-(5-cyano-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is YPMHZNYWZPOZLR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N4O/c15-8-10-3-6-13(16-9-10)18-7-1-2-12(18)14(19)17-11-4-5-11/h3,6,9,11-12H,1-2,4-5,7H2,(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-1-(5-cyano-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide?
(2S)-1-(5-cyano-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-cyano-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 32877843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).