3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid

C12H10N4O3 — CID 2826173

IUPAC3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)NCc1ccncc1
InChIInChI=1S/C12H10N4O3/c17-11(16-7-8-1-3-13-4-2-8)9-10(12(18)19)15-6-5-14-9/h1-6H,7H2,(H,16,17)(H,18,19)
InChIKeyPHVKGTPKCVWOCA-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.50
Rot. Bonds4

About 3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid

3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid (PubChem CID 2826173) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid
PubChem CID2826173
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)NCc1ccncc1
InChIInChI=1S/C12H10N4O3/c17-11(16-7-8-1-3-13-4-2-8)9-10(12(18)19)15-6-5-14-9/h1-6H,7H2,(H,16,17)(H,18,19)
InChIKeyPHVKGTPKCVWOCA-UHFFFAOYSA-N
XLogP0.50
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide
CID 118716034
3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid
CID 1207738
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide
CID 113254463
N-(pyridin-4-ylmethyl)quinazoline-4-carboxamide
CID 110702680
5-(pyridin-4-ylmethylamino)-1,3-thiazole-4-carboxylic acid
CID 64630479
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 110683582
3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide
CID 110701992
2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4165114
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid (CID 2826173) is 3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1C(=O)NCc1ccncc1.
What is the InChIKey of 3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid?
The InChIKey is PHVKGTPKCVWOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c17-11(16-7-8-1-3-13-4-2-8)9-10(12(18)19)15-6-5-14-9/h1-6H,7H2,(H,16,17)(H,18,19).
What are the key properties of 3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid?
3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid has a molecular weight of 258.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 2826173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).