2-[butyl(methyl)amino]-6-methyl-4-(3-methylphenyl)pyridine-3-carboxylic acid

C19H24N2O2 — CID 94962461

IUPAC2-[butyl(methyl)amino]-6-methyl-4-(3-methylphenyl)pyridine-3-carboxylic acid
SMILESCCCCN(C)c1nc(C)cc(-c2cccc(C)c2)c1C(=O)O
InChIInChI=1S/C19H24N2O2/c1-5-6-10-21(4)18-17(19(22)23)16(12-14(3)20-18)15-9-7-8-13(2)11-15/h7-9,11-12H,5-6,10H2,1-4H3,(H,22,23)
InChIKeyAEUXXIYFDROZPL-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.30
Rot. Bonds6

About 2-[butyl(methyl)amino]-6-methyl-4-(3-methylphenyl)pyridine-3-carboxylic acid

2-[butyl(methyl)amino]-6-methyl-4-(3-methylphenyl)pyridine-3-carboxylic acid (PubChem CID 94962461) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-6-methyl-4-(3-methylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-6-methyl-4-(3-methylphenyl)pyridine-3-carboxylic acid
PubChem CID94962461
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-[butyl(methyl)amino]-6-methyl-4-(3-methylphenyl)pyridine-3-carboxylic acid
SMILESCCCCN(C)c1nc(C)cc(-c2cccc(C)c2)c1C(=O)O
InChIInChI=1S/C19H24N2O2/c1-5-6-10-21(4)18-17(19(22)23)16(12-14(3)20-18)15-9-7-8-13(2)11-15/h7-9,11-12H,5-6,10H2,1-4H3,(H,22,23)
InChIKeyAEUXXIYFDROZPL-UHFFFAOYSA-N
XLogP4.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-6-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid
CID 82220477
6-methyl-4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 82220468
3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid
CID 170962767
2-[butyl(methyl)amino]-5-[(3-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53093985
2-[butyl(methyl)amino]-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327703
1-[butyl(methyl)amino]isoquinoline-3-carboxylic acid
CID 43166513
ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate
CID 167433740
N-butyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4113046
2-[butyl(methyl)amino]-4-methylbenzoic acid
CID 62701140
4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226923
4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
CID 79494614
2-[(dimethylamino)methyl]-4-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82227413

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-6-methyl-4-(3-methylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-[butyl(methyl)amino]-6-methyl-4-(3-methylphenyl)pyridine-3-carboxylic acid (CID 94962461) is 2-[butyl(methyl)amino]-6-methyl-4-(3-methylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[butyl(methyl)amino]-6-methyl-4-(3-methylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-[butyl(methyl)amino]-6-methyl-4-(3-methylphenyl)pyridine-3-carboxylic acid is CCCCN(C)c1nc(C)cc(-c2cccc(C)c2)c1C(=O)O.
What is the InChIKey of 2-[butyl(methyl)amino]-6-methyl-4-(3-methylphenyl)pyridine-3-carboxylic acid?
The InChIKey is AEUXXIYFDROZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-5-6-10-21(4)18-17(19(22)23)16(12-14(3)20-18)15-9-7-8-13(2)11-15/h7-9,11-12H,5-6,10H2,1-4H3,(H,22,23).
What are the key properties of 2-[butyl(methyl)amino]-6-methyl-4-(3-methylphenyl)pyridine-3-carboxylic acid?
2-[butyl(methyl)amino]-6-methyl-4-(3-methylphenyl)pyridine-3-carboxylic acid has a molecular weight of 312.41 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-6-methyl-4-(3-methylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 94962461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).