3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid

C12H10N4O3 — CID 104740393

IUPAC3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCc1cnc(C(=O)Nc2cccnc2C(=O)O)cn1
InChIInChI=1S/C12H10N4O3/c1-7-5-15-9(6-14-7)11(17)16-8-3-2-4-13-10(8)12(18)19/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyZAACCAXJCVTRDB-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.13
Rot. Bonds3

About 3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid

3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 104740393) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID104740393
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCc1cnc(C(=O)Nc2cccnc2C(=O)O)cn1
InChIInChI=1S/C12H10N4O3/c1-7-5-15-9(6-14-7)11(17)16-8-3-2-4-13-10(8)12(18)19/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyZAACCAXJCVTRDB-UHFFFAOYSA-N
XLogP1.13
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-carbamoylphenyl)-5-methylpyrazine-2-carboxamide
CID 27687729
N-(3-hydroxy-2-pyridinyl)-5-methylpyrazine-2-carboxamide
CID 135950880
N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943
3-[(6-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 114035227
3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743784
3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740370
5-methyl-N-(6-methylquinolin-8-yl)pyrazine-2-carboxamide
CID 147349053
N-(3-amino-2-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 16788765
3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740156
5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 52560390
3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740205
5-methyl-N-[2-(2-pyridin-2-ylethylamino)phenyl]pyrazine-2-carboxamide
CID 86814979

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid (CID 104740393) is 3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid is Cc1cnc(C(=O)Nc2cccnc2C(=O)O)cn1.
What is the InChIKey of 3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is ZAACCAXJCVTRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c1-7-5-15-9(6-14-7)11(17)16-8-3-2-4-13-10(8)12(18)19/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid?
3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 258.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104740393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).