2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid

C16H18N2O3 — CID 107854772

IUPAC2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid
SMILESCOc1cccc(CCNc2nccc(C)c2C(=O)O)c1
InChIInChI=1S/C16H18N2O3/c1-11-6-8-17-15(14(11)16(19)20)18-9-7-12-4-3-5-13(10-12)21-2/h3-6,8,10H,7,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyKUVCGKWIOFLTFS-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.75
Rot. Bonds6

About 2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid

2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid (PubChem CID 107854772) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid
PubChem CID107854772
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid
SMILESCOc1cccc(CCNc2nccc(C)c2C(=O)O)c1
InChIInChI=1S/C16H18N2O3/c1-11-6-8-17-15(14(11)16(19)20)18-9-7-12-4-3-5-13(10-12)21-2/h3-6,8,10H,7,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyKUVCGKWIOFLTFS-UHFFFAOYSA-N
XLogP2.75
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107856230
3-[(3-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62709440
3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103741704
3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one
CID 103702655
N-[2-(3-methoxyphenyl)ethyl]furo[3,2-c]pyridin-4-amine
CID 103702656
3-[2-(3-methoxyphenyl)ethylamino]-1-methylpyrazin-2-one
CID 103702647
5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 107853484
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid
CID 114112447
5-[2-(3-methoxyphenyl)ethylamino]furan-2-carboxylic acid
CID 114009306
2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 107856368
N-[2-(3-methoxyphenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 107856315
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109169514

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid (CID 107854772) is 2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid is COc1cccc(CCNc2nccc(C)c2C(=O)O)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid?
The InChIKey is KUVCGKWIOFLTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-6-8-17-15(14(11)16(19)20)18-9-7-12-4-3-5-13(10-12)21-2/h3-6,8,10H,7,9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid?
2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 107854772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).