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

C15H16N2O2 — CID 106900004

IUPAC2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid
SMILESCCc1ccc(CNc2ncccc2C(=O)O)cc1
InChIInChI=1S/C15H16N2O2/c1-2-11-5-7-12(8-6-11)10-17-14-13(15(18)19)4-3-9-16-14/h3-9H,2,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyBGYNUMFXBSJMBM-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.95
Rot. Bonds5

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

2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid (PubChem CID 106900004) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid
PubChem CID106900004
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid
SMILESCCc1ccc(CNc2ncccc2C(=O)O)cc1
InChIInChI=1S/C15H16N2O2/c1-2-11-5-7-12(8-6-11)10-17-14-13(15(18)19)4-3-9-16-14/h3-9H,2,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyBGYNUMFXBSJMBM-UHFFFAOYSA-N
XLogP2.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]-3-methylpyridin-2-amine
CID 82679621
2-(2-oxopropylamino)pyridine-3-carboxylic acid
CID 89326661
2-(hexylamino)pyridine-3-carboxylic acid
CID 14222051
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
N-[(4-ethylphenyl)methyl]-3-methoxypyridin-2-amine
CID 103872142
2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 62228145
2-[(4-ethylphenyl)methylamino]-3-methylbenzoic acid
CID 107112483
2-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]pyridine-3-carboxylic acid
CID 166364586
2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]pyridine-3-carboxylic acid
CID 167890213
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 79351085
N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine
CID 106900046
2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 60654935

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid (CID 106900004) is 2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid is CCc1ccc(CNc2ncccc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is BGYNUMFXBSJMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-11-5-7-12(8-6-11)10-17-14-13(15(18)19)4-3-9-16-14/h3-9H,2,10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid?
2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 106900004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).