3-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid

C14H14N2O3 — CID 59699608

IUPAC3-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
SMILESCOc1ccc(CNc2cnccc2C(=O)O)cc1
InChIInChI=1S/C14H14N2O3/c1-19-11-4-2-10(3-5-11)8-16-13-9-15-7-6-12(13)14(17)18/h2-7,9,16H,8H2,1H3,(H,17,18)
InChIKeyXKZFNTZMCLZYHZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.40
Rot. Bonds5

About 3-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid

3-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid (PubChem CID 59699608) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
PubChem CID59699608
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
SMILESCOc1ccc(CNc2cnccc2C(=O)O)cc1
InChIInChI=1S/C14H14N2O3/c1-19-11-4-2-10(3-5-11)8-16-13-9-15-7-6-12(13)14(17)18/h2-7,9,16H,8H2,1H3,(H,17,18)
InChIKeyXKZFNTZMCLZYHZ-UHFFFAOYSA-N
XLogP2.40
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid (CID 59699608) is 3-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid is COc1ccc(CNc2cnccc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is XKZFNTZMCLZYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-19-11-4-2-10(3-5-11)8-16-13-9-15-7-6-12(13)14(17)18/h2-7,9,16H,8H2,1H3,(H,17,18).
What are the key properties of 3-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid?
3-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 59699608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).