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

C15H16N2O2 — CID 12640194

IUPAC5-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carboxylic acid
SMILESCc1cccc(CN(C)c2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C15H16N2O2/c1-11-4-3-5-12(8-11)10-17(2)13-6-7-14(15(18)19)16-9-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyHPHYVYJEQGXXEY-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.72
Rot. Bonds4

About 5-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carboxylic acid

5-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carboxylic acid (PubChem CID 12640194) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carboxylic acid
PubChem CID12640194
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name5-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carboxylic acid
SMILESCc1cccc(CN(C)c2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C15H16N2O2/c1-11-4-3-5-12(8-11)10-17(2)13-6-7-14(15(18)19)16-9-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyHPHYVYJEQGXXEY-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 5-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carboxylic acid (CID 12640194) is 5-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carboxylic acid is Cc1cccc(CN(C)c2ccc(C(=O)O)nc2)c1.
What is the InChIKey of 5-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carboxylic acid?
The InChIKey is HPHYVYJEQGXXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-4-3-5-12(8-11)10-17(2)13-6-7-14(15(18)19)16-9-13/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 5-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carboxylic acid?
5-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-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 5-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 12640194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).