3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid

C12H13N3O2 — CID 66030778

IUPAC3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESN#Cc1cccnc1NC1CCC(C(=O)O)C1
InChIInChI=1S/C12H13N3O2/c13-7-9-2-1-5-14-11(9)15-10-4-3-8(6-10)12(16)17/h1-2,5,8,10H,3-4,6H2,(H,14,15)(H,16,17)
InChIKeyDZQYZPQUNAFRDK-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.62
Rot. Bonds3

About 3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid

3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66030778) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66030778
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESN#Cc1cccnc1NC1CCC(C(=O)O)C1
InChIInChI=1S/C12H13N3O2/c13-7-9-2-1-5-14-11(9)15-10-4-3-8(6-10)12(16)17/h1-2,5,8,10H,3-4,6H2,(H,14,15)(H,16,17)
InChIKeyDZQYZPQUNAFRDK-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

2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile
CID 79110256
2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile
CID 103081967
2-[(1-oxothian-4-yl)amino]pyridine-3-carbonitrile
CID 115886619
2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 133292361
3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66032571
2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carbonitrile
CID 131182956
tert-butyl (3S)-3-[(3-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629238
3-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 63041886
ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate
CID 24710040
1-(3-cyano-2-pyridinyl)-3-cyclohexylurea
CID 110472699
2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile
CID 115880942
2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carbonitrile
CID 103703733

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid (CID 66030778) is 3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid is N#Cc1cccnc1NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is DZQYZPQUNAFRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-7-9-2-1-5-14-11(9)15-10-4-3-8(6-10)12(16)17/h1-2,5,8,10H,3-4,6H2,(H,14,15)(H,16,17).
What are the key properties of 3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
3-[(3-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 3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).