3-[[3-(furan-2-carbonylamino)phenyl]carbamoyl]pyrazine-2-carboxylic acid

C17H12N4O5 — CID 53368628

IUPAC3-[[3-(furan-2-carbonylamino)phenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(Nc1cccc(NC(=O)c2nccnc2C(=O)O)c1)c1ccco1
InChIInChI=1S/C17H12N4O5/c22-15(12-5-2-8-26-12)20-10-3-1-4-11(9-10)21-16(23)13-14(17(24)25)19-7-6-18-13/h1-9H,(H,20,22)(H,21,23)(H,24,25)
InChIKeyPNPSTRMARWOYCQ-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.27
Rot. Bonds5

About 3-[[3-(furan-2-carbonylamino)phenyl]carbamoyl]pyrazine-2-carboxylic acid

3-[[3-(furan-2-carbonylamino)phenyl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 53368628) has the molecular formula C17H12N4O5 and a molecular weight of 352.31 g/mol. Its IUPAC name is 3-[[3-(furan-2-carbonylamino)phenyl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(furan-2-carbonylamino)phenyl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID53368628
Molecular FormulaC17H12N4O5
Molecular Weight352.31 g/mol
Exact Mass352.08
IUPAC Name3-[[3-(furan-2-carbonylamino)phenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(Nc1cccc(NC(=O)c2nccnc2C(=O)O)c1)c1ccco1
InChIInChI=1S/C17H12N4O5/c22-15(12-5-2-8-26-12)20-10-3-1-4-11(9-10)21-16(23)13-14(17(24)25)19-7-6-18-13/h1-9H,(H,20,22)(H,21,23)(H,24,25)
InChIKeyPNPSTRMARWOYCQ-UHFFFAOYSA-N
XLogP2.27
TPSA134.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 739737
3-[(3-carboxypyrazine-2-carbonyl)amino]phenolate
CID 54684810
3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 56763357
3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866755
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 1365371
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide
CID 46576505
N-[3-(1H-pyrazol-5-yl)phenyl]furan-2-carboxamide
CID 37044226
N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55934006
N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093492
N-[3-(1-methylimidazol-2-yl)phenyl]furan-2-carboxamide
CID 136578540

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(furan-2-carbonylamino)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[[3-(furan-2-carbonylamino)phenyl]carbamoyl]pyrazine-2-carboxylic acid (CID 53368628) is 3-[[3-(furan-2-carbonylamino)phenyl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[[3-(furan-2-carbonylamino)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[[3-(furan-2-carbonylamino)phenyl]carbamoyl]pyrazine-2-carboxylic acid is O=C(Nc1cccc(NC(=O)c2nccnc2C(=O)O)c1)c1ccco1.
What is the InChIKey of 3-[[3-(furan-2-carbonylamino)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is PNPSTRMARWOYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O5/c22-15(12-5-2-8-26-12)20-10-3-1-4-11(9-10)21-16(23)13-14(17(24)25)19-7-6-18-13/h1-9H,(H,20,22)(H,21,23)(H,24,25).
What are the key properties of 3-[[3-(furan-2-carbonylamino)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
3-[[3-(furan-2-carbonylamino)phenyl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 352.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(furan-2-carbonylamino)phenyl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 53368628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).