2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid

C13H10N2O5S — CID 61300668

IUPAC2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid
SMILESO=C(CSc1cc(C(=O)O)ccn1)NC(=O)c1ccco1
InChIInChI=1S/C13H10N2O5S/c16-10(15-12(17)9-2-1-5-20-9)7-21-11-6-8(13(18)19)3-4-14-11/h1-6H,7H2,(H,18,19)(H,15,16,17)
InChIKeyNWMSFACNLTZDAD-UHFFFAOYSA-N
MW306.30 g/mol
LogP1.42
Rot. Bonds5

About 2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid

2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid (PubChem CID 61300668) has the molecular formula C13H10N2O5S and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid
PubChem CID61300668
Molecular FormulaC13H10N2O5S
Molecular Weight306.30 g/mol
Exact Mass306.03
IUPAC Name2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid
SMILESO=C(CSc1cc(C(=O)O)ccn1)NC(=O)c1ccco1
InChIInChI=1S/C13H10N2O5S/c16-10(15-12(17)9-2-1-5-20-9)7-21-11-6-8(13(18)19)3-4-14-11/h1-6H,7H2,(H,18,19)(H,15,16,17)
InChIKeyNWMSFACNLTZDAD-UHFFFAOYSA-N
XLogP1.42
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid
CID 43169841
2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfanylpyridine-4-carboxylic acid
CID 61300310
2-[2-(cycloheptylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid
CID 61300302
S-[2-(furan-2-carbonylamino)-2-oxoethyl] ethanethioate
CID 23347862
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide
CID 41478237
N-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]furan-2-carboxamide
CID 66150879
N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide
CID 43303059
N-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide
CID 79533862
N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide
CID 43304156
2-(2-hydroxyethylsulfanyl)pyridine-4-carboxylic acid
CID 43409604
2-(3-anilino-3-oxopropyl)sulfanylpyridine-4-carboxylic acid
CID 61300890
N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide
CID 79516080

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid (CID 61300668) is 2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid is O=C(CSc1cc(C(=O)O)ccn1)NC(=O)c1ccco1.
What is the InChIKey of 2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid?
The InChIKey is NWMSFACNLTZDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5S/c16-10(15-12(17)9-2-1-5-20-9)7-21-11-6-8(13(18)19)3-4-14-11/h1-6H,7H2,(H,18,19)(H,15,16,17).
What are the key properties of 2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid?
2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid has a molecular weight of 306.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid is sourced from PubChem (CID 61300668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).