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

C13H12N4O3 — CID 81100153

IUPAC5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCc1cnc(C(=O)NCc2ccc(C(=O)O)nc2)cn1
InChIInChI=1S/C13H12N4O3/c1-8-4-15-11(7-14-8)12(18)17-6-9-2-3-10(13(19)20)16-5-9/h2-5,7H,6H2,1H3,(H,17,18)(H,19,20)
InChIKeyALFCJBPPXDFYBY-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.81
Rot. Bonds4

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

5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81100153) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID81100153
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCc1cnc(C(=O)NCc2ccc(C(=O)O)nc2)cn1
InChIInChI=1S/C13H12N4O3/c1-8-4-15-11(7-14-8)12(18)17-6-9-2-3-10(13(19)20)16-5-9/h2-5,7H,6H2,1H3,(H,17,18)(H,19,20)
InChIKeyALFCJBPPXDFYBY-UHFFFAOYSA-N
XLogP0.81
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099042
N-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 24660078
5-(methylamino)-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107375550
methyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate
CID 17443095
5-[[(5-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 82871594
5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81098454
5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099051
5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81099202
5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107096018
5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81098591
5-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100476
5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099689

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid (CID 81100153) is 5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid is Cc1cnc(C(=O)NCc2ccc(C(=O)O)nc2)cn1.
What is the InChIKey of 5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is ALFCJBPPXDFYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-8-4-15-11(7-14-8)12(18)17-6-9-2-3-10(13(19)20)16-5-9/h2-5,7H,6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81100153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).