5-chloro-N-(4,5-dimethyl-2-nitrophenyl)pyrazine-2-carboxamide

C13H11ClN4O3 — CID 107372032

IUPAC5-chloro-N-(4,5-dimethyl-2-nitrophenyl)pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Cl)cn2)c([N+](=O)[O-])cc1C
InChIInChI=1S/C13H11ClN4O3/c1-7-3-9(11(18(20)21)4-8(7)2)17-13(19)10-5-16-12(14)6-15-10/h3-6H,1-2H3,(H,17,19)
InChIKeyBAEBPGSBDFKKSX-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.91
Rot. Bonds3

About 5-chloro-N-(4,5-dimethyl-2-nitrophenyl)pyrazine-2-carboxamide

5-chloro-N-(4,5-dimethyl-2-nitrophenyl)pyrazine-2-carboxamide (PubChem CID 107372032) has the molecular formula C13H11ClN4O3 and a molecular weight of 306.71 g/mol. Its IUPAC name is 5-chloro-N-(4,5-dimethyl-2-nitrophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4,5-dimethyl-2-nitrophenyl)pyrazine-2-carboxamide
PubChem CID107372032
Molecular FormulaC13H11ClN4O3
Molecular Weight306.71 g/mol
Exact Mass306.05
IUPAC Name5-chloro-N-(4,5-dimethyl-2-nitrophenyl)pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Cl)cn2)c([N+](=O)[O-])cc1C
InChIInChI=1S/C13H11ClN4O3/c1-7-3-9(11(18(20)21)4-8(7)2)17-13(19)10-5-16-12(14)6-15-10/h3-6H,1-2H3,(H,17,19)
InChIKeyBAEBPGSBDFKKSX-UHFFFAOYSA-N
XLogP2.91
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide
CID 66465119
5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
CID 107372132
6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide
CID 103145316
1-(4,5-dimethyl-2-nitrophenyl)-3-methylurea
CID 115579896
5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide
CID 107371747
4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid
CID 107371405
N-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide
CID 103803621
3-[(5-chloropyrazine-2-carbonyl)amino]-4-methylbenzoic acid
CID 107371391
5-chloro-N-(6-chloro-2-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107329768
5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 107246307
5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 103817028
6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 115912537

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,5-dimethyl-2-nitrophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(4,5-dimethyl-2-nitrophenyl)pyrazine-2-carboxamide (CID 107372032) is 5-chloro-N-(4,5-dimethyl-2-nitrophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4,5-dimethyl-2-nitrophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4,5-dimethyl-2-nitrophenyl)pyrazine-2-carboxamide is Cc1cc(NC(=O)c2cnc(Cl)cn2)c([N+](=O)[O-])cc1C.
What is the InChIKey of 5-chloro-N-(4,5-dimethyl-2-nitrophenyl)pyrazine-2-carboxamide?
The InChIKey is BAEBPGSBDFKKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O3/c1-7-3-9(11(18(20)21)4-8(7)2)17-13(19)10-5-16-12(14)6-15-10/h3-6H,1-2H3,(H,17,19).
What are the key properties of 5-chloro-N-(4,5-dimethyl-2-nitrophenyl)pyrazine-2-carboxamide?
5-chloro-N-(4,5-dimethyl-2-nitrophenyl)pyrazine-2-carboxamide has a molecular weight of 306.71 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,5-dimethyl-2-nitrophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107372032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).