2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid

C13H13N3O3S — CID 115284584

IUPAC2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1ccc(C(N)=O)c(NC(C(=O)O)c2cccs2)n1
InChIInChI=1S/C13H13N3O3S/c1-7-4-5-8(11(14)17)12(15-7)16-10(13(18)19)9-3-2-6-20-9/h2-6,10H,1H3,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyICBQBXLRCHYYMC-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.79
Rot. Bonds5

About 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid

2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 115284584) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID115284584
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1ccc(C(N)=O)c(NC(C(=O)O)c2cccs2)n1
InChIInChI=1S/C13H13N3O3S/c1-7-4-5-8(11(14)17)12(15-7)16-10(13(18)19)9-3-2-6-20-9/h2-6,10H,1H3,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyICBQBXLRCHYYMC-UHFFFAOYSA-N
XLogP1.79
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284521
2-(4-carbamoyl-3-methylanilino)-2-thiophen-2-ylacetic acid
CID 115284419
2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284414
2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284526
2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284503
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid
CID 115354802
2-[[(3-carbamoyl-6-methyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381269
(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
CID 70554703
2-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 103554673
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115321276
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
2-(3-fluoro-5-methylanilino)-2-thiophen-2-ylacetic acid
CID 79050291

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid (CID 115284584) is 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid is Cc1ccc(C(N)=O)c(NC(C(=O)O)c2cccs2)n1.
What is the InChIKey of 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is ICBQBXLRCHYYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-7-4-5-8(11(14)17)12(15-7)16-10(13(18)19)9-3-2-6-20-9/h2-6,10H,1H3,(H2,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid?
2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 291.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).