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

C15H16N2O2 — CID 61411567

IUPAC6-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
SMILESCc1ccccc1CN(C)c1ccc(C(=O)O)cn1
InChIInChI=1S/C15H16N2O2/c1-11-5-3-4-6-13(11)10-17(2)14-8-7-12(9-16-14)15(18)19/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyHWTVEVKRPGDWKW-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.72
Rot. Bonds4

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

6-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxylic acid (PubChem CID 61411567) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
PubChem CID61411567
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name6-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
SMILESCc1ccccc1CN(C)c1ccc(C(=O)O)cn1
InChIInChI=1S/C15H16N2O2/c1-11-5-3-4-6-13(11)10-17(2)14-8-7-12(9-16-14)15(18)19/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyHWTVEVKRPGDWKW-UHFFFAOYSA-N
XLogP2.72
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 61420530
6-[methyl-[(2-methylphenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 56795561
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 60631168
6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid
CID 70610869
4-[methyl-[(2-methylphenyl)methyl]amino]pyrimidine-5-carboxylic acid
CID 115148967
6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313290
6-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine
CID 61412034
6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid
CID 63208877
6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156314
6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 76903791
4-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzoic acid
CID 119179454

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxylic acid (CID 61411567) is 6-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxylic acid is Cc1ccccc1CN(C)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxylic acid?
The InChIKey is HWTVEVKRPGDWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-5-3-4-6-13(11)10-17(2)14-8-7-12(9-16-14)15(18)19/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 6-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxylic acid?
6-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61411567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).