5-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid

C14H14N2O3 — CID 12640167

IUPAC5-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid
SMILESCOc1cccc(CNc2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C14H14N2O3/c1-19-12-4-2-3-10(7-12)8-15-11-5-6-13(14(17)18)16-9-11/h2-7,9,15H,8H2,1H3,(H,17,18)
InChIKeyRKXYMJNVPOXGIH-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.40
Rot. Bonds5

About 5-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid

5-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid (PubChem CID 12640167) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid
PubChem CID12640167
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name5-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid
SMILESCOc1cccc(CNc2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C14H14N2O3/c1-19-12-4-2-3-10(7-12)8-15-11-5-6-13(14(17)18)16-9-11/h2-7,9,15H,8H2,1H3,(H,17,18)
InChIKeyRKXYMJNVPOXGIH-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 5-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid (CID 12640167) is 5-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid is COc1cccc(CNc2ccc(C(=O)O)nc2)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is RKXYMJNVPOXGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-19-12-4-2-3-10(7-12)8-15-11-5-6-13(14(17)18)16-9-11/h2-7,9,15H,8H2,1H3,(H,17,18).
What are the key properties of 5-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid?
5-[(3-methoxyphenyl)methylamino]pyridine-2-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 5-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 12640167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).