4-[(5-acetamidothiophene-2-carbonyl)amino]pyridine-2-carboxylic acid

C13H11N3O4S — CID 63650927

IUPAC4-[(5-acetamidothiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccnc(C(=O)O)c2)s1
InChIInChI=1S/C13H11N3O4S/c1-7(17)15-11-3-2-10(21-11)12(18)16-8-4-5-14-9(6-8)13(19)20/h2-6H,1H3,(H,15,17)(H,19,20)(H,14,16,18)
InChIKeyNWEFAANYMYJJTE-UHFFFAOYSA-N
MW305.32 g/mol
LogP2.05
Rot. Bonds4

About 4-[(5-acetamidothiophene-2-carbonyl)amino]pyridine-2-carboxylic acid

4-[(5-acetamidothiophene-2-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 63650927) has the molecular formula C13H11N3O4S and a molecular weight of 305.32 g/mol. Its IUPAC name is 4-[(5-acetamidothiophene-2-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-acetamidothiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID63650927
Molecular FormulaC13H11N3O4S
Molecular Weight305.32 g/mol
Exact Mass305.05
IUPAC Name4-[(5-acetamidothiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccnc(C(=O)O)c2)s1
InChIInChI=1S/C13H11N3O4S/c1-7(17)15-11-3-2-10(21-11)12(18)16-8-4-5-14-9(6-8)13(19)20/h2-6H,1H3,(H,15,17)(H,19,20)(H,14,16,18)
InChIKeyNWEFAANYMYJJTE-UHFFFAOYSA-N
XLogP2.05
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid
CID 114030963
4-(pyridine-4-carbonylamino)pyridine-2-carboxylic acid
CID 63651530
4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63651310
5-acetamido-N-(4-bromophenyl)thiophene-2-carboxamide
CID 17435618
4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid
CID 63651857
3-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914937
4-[(4-bromo-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63651193
4-[(5-acetamidothiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82878012
4-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid
CID 63651413
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 55246685
4-[(6-methoxypyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 63650775
4-[(5-chlorofuran-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 55244586

Frequently Asked Questions

What is the IUPAC name of 4-[(5-acetamidothiophene-2-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(5-acetamidothiophene-2-carbonyl)amino]pyridine-2-carboxylic acid (CID 63650927) is 4-[(5-acetamidothiophene-2-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(5-acetamidothiophene-2-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(5-acetamidothiophene-2-carbonyl)amino]pyridine-2-carboxylic acid is CC(=O)Nc1ccc(C(=O)Nc2ccnc(C(=O)O)c2)s1.
What is the InChIKey of 4-[(5-acetamidothiophene-2-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is NWEFAANYMYJJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S/c1-7(17)15-11-3-2-10(21-11)12(18)16-8-4-5-14-9(6-8)13(19)20/h2-6H,1H3,(H,15,17)(H,19,20)(H,14,16,18).
What are the key properties of 4-[(5-acetamidothiophene-2-carbonyl)amino]pyridine-2-carboxylic acid?
4-[(5-acetamidothiophene-2-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 305.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-acetamidothiophene-2-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63650927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).