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

C11H7ClN4O3 — CID 107371641

IUPAC5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cnc(Cl)cn2)cn1
InChIInChI=1S/C11H7ClN4O3/c12-9-5-14-8(4-15-9)10(17)16-6-1-2-7(11(18)19)13-3-6/h1-5H,(H,16,17)(H,18,19)
InChIKeyIYLYSAPNXMZODR-UHFFFAOYSA-N
MW278.66 g/mol
LogP1.48
Rot. Bonds3

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

5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 107371641) has the molecular formula C11H7ClN4O3 and a molecular weight of 278.66 g/mol. Its IUPAC name is 5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID107371641
Molecular FormulaC11H7ClN4O3
Molecular Weight278.66 g/mol
Exact Mass278.02
IUPAC Name5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cnc(Cl)cn2)cn1
InChIInChI=1S/C11H7ClN4O3/c12-9-5-14-8(4-15-9)10(17)16-6-1-2-7(11(18)19)13-3-6/h1-5H,(H,16,17)(H,18,19)
InChIKeyIYLYSAPNXMZODR-UHFFFAOYSA-N
XLogP1.48
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.66
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371455
5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107371536
2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371486
N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide
CID 103817085
5-acetamidopyridine-2-carboxylic acid
CID 5278292
2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid
CID 107371543
5-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107096027
5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 103817189
5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684723
5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 107573378
3-[(5-chloropyrazine-2-carbonyl)amino]-4-methylbenzoic acid
CID 107371391
N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide
CID 103803190

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid (CID 107371641) is 5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid is O=C(O)c1ccc(NC(=O)c2cnc(Cl)cn2)cn1.
What is the InChIKey of 5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is IYLYSAPNXMZODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O3/c12-9-5-14-8(4-15-9)10(17)16-6-1-2-7(11(18)19)13-3-6/h1-5H,(H,16,17)(H,18,19).
What are the key properties of 5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid?
5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 278.66 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 107371641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).