3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid

C18H13N5O4 — CID 56763143

IUPAC3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(Nc1cccnc1)c1cccc(NC(=O)c2nccnc2C(=O)O)c1
InChIInChI=1S/C18H13N5O4/c24-16(23-13-5-2-6-19-10-13)11-3-1-4-12(9-11)22-17(25)14-15(18(26)27)21-8-7-20-14/h1-10H,(H,22,25)(H,23,24)(H,26,27)
InChIKeyKQLVIVQMCVBGTI-UHFFFAOYSA-N
MW363.33 g/mol
LogP2.07
Rot. Bonds5

About 3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid

3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 56763143) has the molecular formula C18H13N5O4 and a molecular weight of 363.33 g/mol. Its IUPAC name is 3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID56763143
Molecular FormulaC18H13N5O4
Molecular Weight363.33 g/mol
Exact Mass363.10
IUPAC Name3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(Nc1cccnc1)c1cccc(NC(=O)c2nccnc2C(=O)O)c1
InChIInChI=1S/C18H13N5O4/c24-16(23-13-5-2-6-19-10-13)11-3-1-4-12(9-11)22-17(25)14-15(18(26)27)21-8-7-20-14/h1-10H,(H,22,25)(H,23,24)(H,26,27)
InChIKeyKQLVIVQMCVBGTI-UHFFFAOYSA-N
XLogP2.07
TPSA134.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 739737
3-formamido-N-pyridin-3-ylbenzamide
CID 168654563
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
3-[(3-carboxypyrazine-2-carbonyl)amino]phenolate
CID 54684810
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741844
N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55631172
N-pyridin-3-yl-3-sulfamoylbenzamide
CID 164627954
3-[[3-(furan-2-carbonylamino)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 53368628

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid (CID 56763143) is 3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid is O=C(Nc1cccnc1)c1cccc(NC(=O)c2nccnc2C(=O)O)c1.
What is the InChIKey of 3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is KQLVIVQMCVBGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O4/c24-16(23-13-5-2-6-19-10-13)11-3-1-4-12(9-11)22-17(25)14-15(18(26)27)21-8-7-20-14/h1-10H,(H,22,25)(H,23,24)(H,26,27).
What are the key properties of 3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 363.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 56763143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).