6-methyl-4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid

C19H23N3O2 — CID 82220468

IUPAC6-methyl-4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESCc1cccc(-c2cc(C)nc(N3CCN(C)CC3)c2C(=O)O)c1
InChIInChI=1S/C19H23N3O2/c1-13-5-4-6-15(11-13)16-12-14(2)20-18(17(16)19(23)24)22-9-7-21(3)8-10-22/h4-6,11-12H,7-10H2,1-3H3,(H,23,24)
InChIKeyVTZIJLMLMWORND-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.82
Rot. Bonds3

About 6-methyl-4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid

6-methyl-4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid (PubChem CID 82220468) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 6-methyl-4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
PubChem CID82220468
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name6-methyl-4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESCc1cccc(-c2cc(C)nc(N3CCN(C)CC3)c2C(=O)O)c1
InChIInChI=1S/C19H23N3O2/c1-13-5-4-6-15(11-13)16-12-14(2)20-18(17(16)19(23)24)22-9-7-21(3)8-10-22/h4-6,11-12H,7-10H2,1-3H3,(H,23,24)
InChIKeyVTZIJLMLMWORND-UHFFFAOYSA-N
XLogP2.82
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)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

4-[4-(dimethylamino)phenyl]-6-methyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 82220452
2-[butyl(methyl)amino]-6-methyl-4-(3-methylphenyl)pyridine-3-carboxylic acid
CID 94962461
3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid
CID 170962767
[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71690161
1-[2-methyl-4-(3-methylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone
CID 154688968
1-methyl-4-(6-methyl-4-phenyl-2-pyridinyl)piperazine
CID 11010984
2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669959
5-(3-methylphenyl)-1,2,4-thiadiazole-3-carboxylic acid
CID 83889371
4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112888119
2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-1,3-oxazole
CID 18825067
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
2-tert-butyl-4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42669064

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid (CID 82220468) is 6-methyl-4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid is Cc1cccc(-c2cc(C)nc(N3CCN(C)CC3)c2C(=O)O)c1.
What is the InChIKey of 6-methyl-4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is VTZIJLMLMWORND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-5-4-6-15(11-13)16-12-14(2)20-18(17(16)19(23)24)22-9-7-21(3)8-10-22/h4-6,11-12H,7-10H2,1-3H3,(H,23,24).
What are the key properties of 6-methyl-4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid?
6-methyl-4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 82220468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).