3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid

C13H11N5O4 — CID 2813206

IUPAC3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(NC(=O)c2nccnc2C(=O)O)cn1
InChIInChI=1S/C13H11N5O4/c1-7(19)17-9-3-2-8(6-16-9)18-12(20)10-11(13(21)22)15-5-4-14-10/h2-6H,1H3,(H,18,20)(H,21,22)(H,16,17,19)
InChIKeyMGKGSUSAYJINQR-UHFFFAOYSA-N
MW301.26 g/mol
LogP0.78
Rot. Bonds4

About 3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid

3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 2813206) has the molecular formula C13H11N5O4 and a molecular weight of 301.26 g/mol. Its IUPAC name is 3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID2813206
Molecular FormulaC13H11N5O4
Molecular Weight301.26 g/mol
Exact Mass301.08
IUPAC Name3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(NC(=O)c2nccnc2C(=O)O)cn1
InChIInChI=1S/C13H11N5O4/c1-7(19)17-9-3-2-8(6-16-9)18-12(20)10-11(13(21)22)15-5-4-14-10/h2-6H,1H3,(H,18,20)(H,21,22)(H,16,17,19)
InChIKeyMGKGSUSAYJINQR-UHFFFAOYSA-N
XLogP0.78
TPSA134.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39353282
3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 56762340
3-[(3-carboxy-4-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270975
3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39035583
3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866755
3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 56762366
3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 739737
3-(2,1,3-benzothiadiazol-5-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 39044412
3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 23633123
3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide
CID 59799292
3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 56763143
N-(5-acetamido-2-pyridinyl)-2-chlorobenzamide
CID 1449171

Frequently Asked Questions

What is the IUPAC name of 3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid (CID 2813206) is 3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid is CC(=O)Nc1ccc(NC(=O)c2nccnc2C(=O)O)cn1.
What is the InChIKey of 3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is MGKGSUSAYJINQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O4/c1-7(19)17-9-3-2-8(6-16-9)18-12(20)10-11(13(21)22)15-5-4-14-10/h2-6H,1H3,(H,18,20)(H,21,22)(H,16,17,19).
What are the key properties of 3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid?
3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 301.26 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 2813206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).