2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid

C14H11N3O3S — CID 115284162

IUPAC2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1nc(C(=O)NC(C(=O)O)c2cccs2)ccc1C#N
InChIInChI=1S/C14H11N3O3S/c1-8-9(7-15)4-5-10(16-8)13(18)17-12(14(19)20)11-3-2-6-21-11/h2-6,12H,1H3,(H,17,18)(H,19,20)
InChIKeyVKAMEWGWCZUWBH-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.88
Rot. Bonds4

About 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid

2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 115284162) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID115284162
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1nc(C(=O)NC(C(=O)O)c2cccs2)ccc1C#N
InChIInChI=1S/C14H11N3O3S/c1-8-9(7-15)4-5-10(16-8)13(18)17-12(14(19)20)11-3-2-6-21-11/h2-6,12H,1H3,(H,17,18)(H,19,20)
InChIKeyVKAMEWGWCZUWBH-UHFFFAOYSA-N
XLogP1.88
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284026
5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63182583
5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide
CID 79031139
5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide
CID 61247495
(E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid
CID 120694040
5-cyano-6-methylpyridine-2-carboxylic acid;ethane
CID 143901939
2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284684
3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166861
2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 79018523
2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284033
5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide
CID 115767165
methyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate
CID 43424083

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid (CID 115284162) is 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid is Cc1nc(C(=O)NC(C(=O)O)c2cccs2)ccc1C#N.
What is the InChIKey of 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is VKAMEWGWCZUWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-8-9(7-15)4-5-10(16-8)13(18)17-12(14(19)20)11-3-2-6-21-11/h2-6,12H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid?
2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 301.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).