6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid

C15H15ClN2O2 — CID 63379816

IUPAC6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
SMILESCc1cccc(CN(C)c2nc(Cl)ccc2C(=O)O)c1
InChIInChI=1S/C15H15ClN2O2/c1-10-4-3-5-11(8-10)9-18(2)14-12(15(19)20)6-7-13(16)17-14/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeySYAYLDGHKSDINR-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.38
Rot. Bonds4

About 6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid

6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid (PubChem CID 63379816) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
PubChem CID63379816
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
SMILESCc1cccc(CN(C)c2nc(Cl)ccc2C(=O)O)c1
InChIInChI=1S/C15H15ClN2O2/c1-10-4-3-5-11(8-10)9-18(2)14-12(15(19)20)6-7-13(16)17-14/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeySYAYLDGHKSDINR-UHFFFAOYSA-N
XLogP3.38
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-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-[(3-fluorophenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid
CID 62703512
5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid
CID 114919313
6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 63379855
6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid
CID 63537357
6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazin-2-amine
CID 54979220
2-[benzyl(propan-2-yl)amino]-6-chloropyridine-3-carboxylic acid
CID 63376936
6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
CID 55184898
6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid
CID 63380325
4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid
CID 63513628
2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid
CID 61411727
5-bromo-2-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 79075988
5-amino-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxamide
CID 61413892

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid (CID 63379816) is 6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid is Cc1cccc(CN(C)c2nc(Cl)ccc2C(=O)O)c1.
What is the InChIKey of 6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid?
The InChIKey is SYAYLDGHKSDINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-4-3-5-11(8-10)9-18(2)14-12(15(19)20)6-7-13(16)17-14/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of 6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid?
6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid has a molecular weight of 290.75 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63379816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).