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

C15H16N2O2 — CID 61411727

IUPAC2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid
SMILESCc1cccc(CN(C)c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C15H16N2O2/c1-11-4-3-5-12(8-11)10-17(2)14-9-13(15(18)19)6-7-16-14/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyVEFMUMJLSVBKJT-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.72
Rot. Bonds4

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

2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid (PubChem CID 61411727) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid
PubChem CID61411727
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid
SMILESCc1cccc(CN(C)c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C15H16N2O2/c1-11-4-3-5-12(8-11)10-17(2)14-9-13(15(18)19)6-7-16-14/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyVEFMUMJLSVBKJT-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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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid (CID 61411727) is 2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid is Cc1cccc(CN(C)c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid?
The InChIKey is VEFMUMJLSVBKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-4-3-5-12(8-11)10-17(2)14-9-13(15(18)19)6-7-16-14/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid?
2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-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 2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 61411727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).