5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid

C12H15ClN2O2 — CID 114920054

IUPAC5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
SMILESCC1CCC(Nc2cc(C(=O)O)c(Cl)cn2)C1
InChIInChI=1S/C12H15ClN2O2/c1-7-2-3-8(4-7)15-11-5-9(12(16)17)10(13)6-14-11/h5-8H,2-4H2,1H3,(H,14,15)(H,16,17)
InChIKeyRXGXHWUZAHIFKZ-UHFFFAOYSA-N
MW254.72 g/mol
LogP3.03
Rot. Bonds3

About 5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid

5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid (PubChem CID 114920054) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
PubChem CID114920054
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
SMILESCC1CCC(Nc2cc(C(=O)O)c(Cl)cn2)C1
InChIInChI=1S/C12H15ClN2O2/c1-7-2-3-8(4-7)15-11-5-9(12(16)17)10(13)6-14-11/h5-8H,2-4H2,1H3,(H,14,15)(H,16,17)
InChIKeyRXGXHWUZAHIFKZ-UHFFFAOYSA-N
XLogP3.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-(oxan-4-ylamino)pyridine-4-carboxylic acid
CID 114919257
5-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114919638
5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-carboxylic acid
CID 114919895
5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid
CID 114919693
2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid
CID 114541224
2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114546957
5-chloro-2-(3-methylcyclohexyl)sulfanylpyridine-4-carboxylic acid
CID 114920127
5-chloro-2-(ethylamino)-N-(4-methylcyclohexyl)pyridine-4-carboxamide
CID 104983746
5-N,5-N-dimethyl-2-N-(3-methylcyclopentyl)pyridine-2,5-diamine
CID 115735855
6-[(3-methylcyclopentyl)amino]pyridine-3-carbothioamide
CID 114546660
5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid
CID 114919974
2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid
CID 114546973

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid (CID 114920054) is 5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid is CC1CCC(Nc2cc(C(=O)O)c(Cl)cn2)C1.
What is the InChIKey of 5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid?
The InChIKey is RXGXHWUZAHIFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-7-2-3-8(4-7)15-11-5-9(12(16)17)10(13)6-14-11/h5-8H,2-4H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid?
5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid has a molecular weight of 254.72 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114920054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).