4,5-dimethyl-2-[(2-methylpyridine-4-carbonyl)amino]thiophene-3-carboxylic acid

C14H14N2O3S — CID 106752473

IUPAC4,5-dimethyl-2-[(2-methylpyridine-4-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)Nc2sc(C)c(C)c2C(=O)O)ccn1
InChIInChI=1S/C14H14N2O3S/c1-7-6-10(4-5-15-7)12(17)16-13-11(14(18)19)8(2)9(3)20-13/h4-6H,1-3H3,(H,16,17)(H,18,19)
InChIKeyCDPZMXMVAQGMQM-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.02
Rot. Bonds3

About 4,5-dimethyl-2-[(2-methylpyridine-4-carbonyl)amino]thiophene-3-carboxylic acid

4,5-dimethyl-2-[(2-methylpyridine-4-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 106752473) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(2-methylpyridine-4-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethyl-2-[(2-methylpyridine-4-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID106752473
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name4,5-dimethyl-2-[(2-methylpyridine-4-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)Nc2sc(C)c(C)c2C(=O)O)ccn1
InChIInChI=1S/C14H14N2O3S/c1-7-6-10(4-5-15-7)12(17)16-13-11(14(18)19)8(2)9(3)20-13/h4-6H,1-3H3,(H,16,17)(H,18,19)
InChIKeyCDPZMXMVAQGMQM-UHFFFAOYSA-N
XLogP3.02
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[(2-methylpyridine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 106752533
4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylic acid
CID 104669364
4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid
CID 16773867
2-[(4-bromo-3-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 81289030
2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 82877767
4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 950144
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 1318924
2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 29280549
2-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 16777479
(2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752669
5-methyl-2-[(2-methylpyridine-4-carbonyl)amino]benzoic acid
CID 106752492

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(2-methylpyridine-4-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 4,5-dimethyl-2-[(2-methylpyridine-4-carbonyl)amino]thiophene-3-carboxylic acid (CID 106752473) is 4,5-dimethyl-2-[(2-methylpyridine-4-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 4,5-dimethyl-2-[(2-methylpyridine-4-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 4,5-dimethyl-2-[(2-methylpyridine-4-carbonyl)amino]thiophene-3-carboxylic acid is Cc1cc(C(=O)Nc2sc(C)c(C)c2C(=O)O)ccn1.
What is the InChIKey of 4,5-dimethyl-2-[(2-methylpyridine-4-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is CDPZMXMVAQGMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-7-6-10(4-5-15-7)12(17)16-13-11(14(18)19)8(2)9(3)20-13/h4-6H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 4,5-dimethyl-2-[(2-methylpyridine-4-carbonyl)amino]thiophene-3-carboxylic acid?
4,5-dimethyl-2-[(2-methylpyridine-4-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(2-methylpyridine-4-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 106752473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).