2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid

C15H16N2O3 — CID 60709004

IUPAC2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
SMILESCOc1cccc(CN(C)c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C15H16N2O3/c1-17(10-11-4-3-5-13(8-11)20-2)14-9-12(15(18)19)6-7-16-14/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyPYUSIMANSZQDMT-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.42
Rot. Bonds5

About 2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid

2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid (PubChem CID 60709004) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
PubChem CID60709004
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
SMILESCOc1cccc(CN(C)c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C15H16N2O3/c1-17(10-11-4-3-5-13(8-11)20-2)14-9-12(15(18)19)6-7-16-14/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyPYUSIMANSZQDMT-UHFFFAOYSA-N
XLogP2.42
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid
CID 61411727
2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417811
3-[(3-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369981
4-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418126
2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 55025543
2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109170343
2-[ethyl(methyl)amino]pyridine-4-carboxylic acid
CID 43263657
2-[chloro-[(4-methoxyphenyl)methyl]amino]pyridine-4-carboxylic acid
CID 87576937
N-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 171690653
4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794833
3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874
[6-[(3-methoxyphenyl)methyl-methylamino]pyridazin-3-yl]methanol
CID 61417756

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid (CID 60709004) is 2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid is COc1cccc(CN(C)c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid?
The InChIKey is PYUSIMANSZQDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-17(10-11-4-3-5-13(8-11)20-2)14-9-12(15(18)19)6-7-16-14/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid?
2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 60709004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).