2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid

C15H15ClN2O2 — CID 62305582

IUPAC2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid
SMILESCCC(Nc1cc(C(=O)O)cc(Cl)n1)c1ccccc1
InChIInChI=1S/C15H15ClN2O2/c1-2-12(10-6-4-3-5-7-10)17-14-9-11(15(19)20)8-13(16)18-14/h3-9,12H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyZIEVFTZJVRIVEL-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.00
Rot. Bonds5

About 2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid

2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid (PubChem CID 62305582) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid
PubChem CID62305582
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid
SMILESCCC(Nc1cc(C(=O)O)cc(Cl)n1)c1ccccc1
InChIInChI=1S/C15H15ClN2O2/c1-2-12(10-6-4-3-5-7-10)17-14-9-11(15(19)20)8-13(16)18-14/h3-9,12H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyZIEVFTZJVRIVEL-UHFFFAOYSA-N
XLogP4.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-(1-phenylpropylamino)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

2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 21430349
6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine
CID 80950968
2-chloro-6-(1-pyridin-3-ylethylamino)pyridine-4-carboxylic acid
CID 43523832
5-chloro-2-(1-phenylpropylamino)pyridine-4-carboxylic acid
CID 114919545
5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid
CID 62305236
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-chloropyridine-4-carboxylic acid
CID 114176382
2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
CID 82939267
2-(but-3-yn-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 114417592
2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 65048396
2-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 61477326
2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid
CID 43533609
2-chloro-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114152086

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid (CID 62305582) is 2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid is CCC(Nc1cc(C(=O)O)cc(Cl)n1)c1ccccc1.
What is the InChIKey of 2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid?
The InChIKey is ZIEVFTZJVRIVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-12(10-6-4-3-5-7-10)17-14-9-11(15(19)20)8-13(16)18-14/h3-9,12H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid?
2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid has a molecular weight of 290.75 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 62305582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).