1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide

C11H12N4O — CID 103847087

IUPAC1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
SMILESN#Cc1ccncc1N1CCC(C(N)=O)C1
InChIInChI=1S/C11H12N4O/c12-5-8-1-3-14-6-10(8)15-4-2-9(7-15)11(13)16/h1,3,6,9H,2,4,7H2,(H2,13,16)
InChIKeyKLHIYJGZYFBOIV-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.26
Rot. Bonds2

About 1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide

1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 103847087) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID103847087
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
SMILESN#Cc1ccncc1N1CCC(C(N)=O)C1
InChIInChI=1S/C11H12N4O/c12-5-8-1-3-14-6-10(8)15-4-2-9(7-15)11(13)16/h1,3,6,9H,2,4,7H2,(H2,13,16)
InChIKeyKLHIYJGZYFBOIV-UHFFFAOYSA-N
XLogP0.26
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyano-3-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 172890931
methyl 1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxylate
CID 114287746
1-(5-acetyl-2-cyanophenyl)pyrrolidine-3-carboxamide
CID 133443287
3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 155975805
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 115883813
1-(4-cyano-3-pyridinyl)-2-methylpiperidine-4-carboxylic acid
CID 106742757
3-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]pyridine-4-carbonitrile
CID 155800062
3-[(3S)-3-fluoropiperidin-1-yl]pyridine-4-carbonitrile
CID 129349589
4-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonitrile
CID 67060660
2-[1-(4-cyano-3-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197124
1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 175830226
3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 103888677

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide (CID 103847087) is 1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide is N#Cc1ccncc1N1CCC(C(N)=O)C1.
What is the InChIKey of 1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is KLHIYJGZYFBOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-5-8-1-3-14-6-10(8)15-4-2-9(7-15)11(13)16/h1,3,6,9H,2,4,7H2,(H2,13,16).
What are the key properties of 1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide?
1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103847087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).