2-[ethyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]acetic acid

C15H16N2O3S — CID 120519701

IUPAC2-[ethyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc(-c2cccs2)nc1C
InChIInChI=1S/C15H16N2O3S/c1-3-17(9-14(18)19)15(20)11-6-7-12(16-10(11)2)13-5-4-8-21-13/h4-8H,3,9H2,1-2H3,(H,18,19)
InChIKeyCKCIYLOODGLZMC-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.67
Rot. Bonds5

About 2-[ethyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]acetic acid

2-[ethyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]acetic acid (PubChem CID 120519701) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[ethyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]acetic acid
PubChem CID120519701
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-[ethyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc(-c2cccs2)nc1C
InChIInChI=1S/C15H16N2O3S/c1-3-17(9-14(18)19)15(20)11-6-7-12(16-10(11)2)13-5-4-8-21-13/h4-8H,3,9H2,1-2H3,(H,18,19)
InChIKeyCKCIYLOODGLZMC-UHFFFAOYSA-N
XLogP2.67
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Y 29794
CID 195609
N-(4-ethylphenyl)-2-methyl-5-oxo-6-(thiophen-2-ylmethyl)-1,6-naphthyridine-3-carboxamide
CID 16026979
6-cyclopentyl-2-(thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 54580600
6-isopropyl-2-(thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 54582601
6-methyl-2-(thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 54583563
6-cyclohexyl-2-(thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 54584583
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide
CID 54760783
N-Benzyl-2-methyl-5-oxo-6-[(thiophen-2-YL)methyl]-5,6-dihydro-1,6-naphthyridine-3-carboxamide
CID 16026686
N-[(4-Ethylphenyl)methyl]-2-methyl-5-oxo-6-[(thiophen-2-YL)methyl]-5,6-dihydro-1,6-naphthyridine-3-carboxamide
CID 16026694
2-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-(thiophen-2-ylmethyl)azetidine-2-carboxamide
CID 49792770
N-(cyclopropylmethyl)-N,2-dimethyl-6-thiophen-3-ylpyridine-3-carboxamide
CID 51107627
N,N-diethyl-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
CID 53576714

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]acetic acid (CID 120519701) is 2-[ethyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)c1ccc(-c2cccs2)nc1C.
What is the InChIKey of 2-[ethyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]acetic acid?
The InChIKey is CKCIYLOODGLZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-3-17(9-14(18)19)15(20)11-6-7-12(16-10(11)2)13-5-4-8-21-13/h4-8H,3,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[ethyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]acetic acid?
2-[ethyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]acetic acid has a molecular weight of 304.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 120519701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).