3-chloro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyridine-2-carboxylic acid

C17H15ClN4O2 — CID 72863298

IUPAC3-chloro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyridine-2-carboxylic acid
SMILESCN(Cc1cccc(-n2cccn2)c1)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C17H15ClN4O2/c1-21(15-7-6-14(18)16(20-15)17(23)24)11-12-4-2-5-13(10-12)22-9-3-8-19-22/h2-10H,11H2,1H3,(H,23,24)
InChIKeyOMWIPYRPAGDHEG-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.26
Rot. Bonds5

About 3-chloro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyridine-2-carboxylic acid

3-chloro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyridine-2-carboxylic acid (PubChem CID 72863298) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 3-chloro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyridine-2-carboxylic acid
PubChem CID72863298
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name3-chloro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyridine-2-carboxylic acid
SMILESCN(Cc1cccc(-n2cccn2)c1)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C17H15ClN4O2/c1-21(15-7-6-14(18)16(20-15)17(23)24)11-12-4-2-5-13(10-12)22-9-3-8-19-22/h2-10H,11H2,1H3,(H,23,24)
InChIKeyOMWIPYRPAGDHEG-UHFFFAOYSA-N
XLogP3.26
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyridine-2-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

3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid
CID 61439995
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
CID 70769748
6-(2-aminoethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine
CID 56712468
4-(difluoromethoxy)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide
CID 70751227
4-(4-fluorophenyl)-N-methyl-4-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]butanamide
CID 70738182
(3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol
CID 97273821
N,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide
CID 70786181
N-[(3,4-dichlorophenyl)methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine
CID 47053113
N,3,5-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 90649991
4-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 155913971
3-chloro-6-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-2-carboxylic acid
CID 61452600
N,2-dimethyl-3-morpholin-4-yl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide
CID 91843383

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyridine-2-carboxylic acid (CID 72863298) is 3-chloro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyridine-2-carboxylic acid is CN(Cc1cccc(-n2cccn2)c1)c1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyridine-2-carboxylic acid?
The InChIKey is OMWIPYRPAGDHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-21(15-7-6-14(18)16(20-15)17(23)24)11-12-4-2-5-13(10-12)22-9-3-8-19-22/h2-10H,11H2,1H3,(H,23,24).
What are the key properties of 3-chloro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyridine-2-carboxylic acid?
3-chloro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyridine-2-carboxylic acid has a molecular weight of 342.79 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 72863298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).