1-[(2-cyano-4-pyridinyl)amino]cyclopentane-1-carboxylic acid

C12H13N3O2 — CID 55155310

IUPAC1-[(2-cyano-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESN#Cc1cc(NC2(C(=O)O)CCCC2)ccn1
InChIInChI=1S/C12H13N3O2/c13-8-10-7-9(3-6-14-10)15-12(11(16)17)4-1-2-5-12/h3,6-7H,1-2,4-5H2,(H,14,15)(H,16,17)
InChIKeyUYJFWXDHTBKSKH-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.76
Rot. Bonds3

About 1-[(2-cyano-4-pyridinyl)amino]cyclopentane-1-carboxylic acid

1-[(2-cyano-4-pyridinyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 55155310) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-[(2-cyano-4-pyridinyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-cyano-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
PubChem CID55155310
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-[(2-cyano-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESN#Cc1cc(NC2(C(=O)O)CCCC2)ccn1
InChIInChI=1S/C12H13N3O2/c13-8-10-7-9(3-6-14-10)15-12(11(16)17)4-1-2-5-12/h3,6-7H,1-2,4-5H2,(H,14,15)(H,16,17)
InChIKeyUYJFWXDHTBKSKH-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid
CID 61290842
1-(4-cyano-3-methylanilino)cycloheptane-1-carboxylic acid
CID 81274418
1-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 61289525
1-[(5-cyanopyrazin-2-yl)amino]cyclobutane-1-carboxylic acid
CID 81164784
1-[(3-cyano-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 61289720
2-[(2-cyano-4-pyridinyl)amino]acetamide
CID 62924991
3-[(2-cyano-4-pyridinyl)amino]-2,2,3-trimethylbutanoic acid
CID 65265896
4-(1-adamantylamino)pyridine-2-carbonitrile
CID 55156480
1-(4-cyanoanilino)cyclopropane-1-carboxylic acid
CID 65451444
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
[(1R,3S)-3-[(2-cyano-4-pyridinyl)amino]cyclohexyl]carbamic acid
CID 174225540
4-hydrazinylpyridine-2-carbonitrile
CID 62925156

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyano-4-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-cyano-4-pyridinyl)amino]cyclopentane-1-carboxylic acid (CID 55155310) is 1-[(2-cyano-4-pyridinyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-cyano-4-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-cyano-4-pyridinyl)amino]cyclopentane-1-carboxylic acid is N#Cc1cc(NC2(C(=O)O)CCCC2)ccn1.
What is the InChIKey of 1-[(2-cyano-4-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is UYJFWXDHTBKSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-8-10-7-9(3-6-14-10)15-12(11(16)17)4-1-2-5-12/h3,6-7H,1-2,4-5H2,(H,14,15)(H,16,17).
What are the key properties of 1-[(2-cyano-4-pyridinyl)amino]cyclopentane-1-carboxylic acid?
1-[(2-cyano-4-pyridinyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyano-4-pyridinyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 55155310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).