2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid

C12H13N3O2 — CID 64817435

IUPAC2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESN#Cc1cccc(NC2CCCC2C(=O)O)n1
InChIInChI=1S/C12H13N3O2/c13-7-8-3-1-6-11(14-8)15-10-5-2-4-9(10)12(16)17/h1,3,6,9-10H,2,4-5H2,(H,14,15)(H,16,17)
InChIKeyQQPODBFXFODLSD-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.62
Rot. Bonds3

About 2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid

2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64817435) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64817435
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESN#Cc1cccc(NC2CCCC2C(=O)O)n1
InChIInChI=1S/C12H13N3O2/c13-7-8-3-1-6-11(14-8)15-10-5-2-4-9(10)12(16)17/h1,3,6,9-10H,2,4-5H2,(H,14,15)(H,16,17)
InChIKeyQQPODBFXFODLSD-UHFFFAOYSA-N
XLogP1.62
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-cyano-2-pyridinyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102628059
6-[[(1R,2R)-2-methylcyclopropyl]amino]pyridine-2-carbonitrile
CID 126987207
2-(quinolin-2-ylamino)cyclopentane-1-carboxylic acid
CID 64816078
2-[(6-cyano-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762993
2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)cyclopentane-1-carboxylic acid
CID 113296576
2-(cyanoamino)cyclopentane-1-carboxylic acid
CID 164660205
6-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile
CID 64587165
cis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 138024213
1-[(6-cyano-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 64587354
6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile
CID 79111014
6-[(3-methylcyclopentyl)amino]pyridine-2-carbonitrile
CID 114546536
2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid
CID 64818215

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid (CID 64817435) is 2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid is N#Cc1cccc(NC2CCCC2C(=O)O)n1.
What is the InChIKey of 2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is QQPODBFXFODLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-7-8-3-1-6-11(14-8)15-10-5-2-4-9(10)12(16)17/h1,3,6,9-10H,2,4-5H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).