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

C16H18N2O2 — CID 81233138

IUPAC6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
SMILESCc1ccc(CN(C)c2cc(C)ncc2C(=O)O)cc1
InChIInChI=1S/C16H18N2O2/c1-11-4-6-13(7-5-11)10-18(3)15-8-12(2)17-9-14(15)16(19)20/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyKRVHSSNYDGGDRX-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.03
Rot. Bonds4

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

6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid (PubChem CID 81233138) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
PubChem CID81233138
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
SMILESCc1ccc(CN(C)c2cc(C)ncc2C(=O)O)cc1
InChIInChI=1S/C16H18N2O2/c1-11-4-6-13(7-5-11)10-18(3)15-8-12(2)17-9-14(15)16(19)20/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyKRVHSSNYDGGDRX-UHFFFAOYSA-N
XLogP3.03
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid (CID 81233138) is 6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid is Cc1ccc(CN(C)c2cc(C)ncc2C(=O)O)cc1.
What is the InChIKey of 6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid?
The InChIKey is KRVHSSNYDGGDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-4-6-13(7-5-11)10-18(3)15-8-12(2)17-9-14(15)16(19)20/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of 6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid?
6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81233138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).