N-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide

C12H10N4O4 — CID 108796825

IUPACN-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10N4O4/c1-20-11-3-2-8(6-10(11)16(18)19)15-12(17)9-7-13-4-5-14-9/h2-7H,1H3,(H,15,17)
InChIKeyMHLFVYJPLWZLEF-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.65
Rot. Bonds4

About N-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide

N-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide (PubChem CID 108796825) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide
PubChem CID108796825
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC NameN-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10N4O4/c1-20-11-3-2-8(6-10(11)16(18)19)15-12(17)9-7-13-4-5-14-9/h2-7H,1H3,(H,15,17)
InChIKeyMHLFVYJPLWZLEF-UHFFFAOYSA-N
XLogP1.65
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
CID 110461743
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962
3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide
CID 107519279
N-(3,4-diethoxyphenyl)pyrazine-2-carboxamide
CID 4882744
N-(4-methoxy-3-nitrophenyl)furan-3-carboxamide
CID 75484436
5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 2994913
methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate
CID 108785557
N-(4-methoxy-3-nitrophenyl)propanamide
CID 2995377
N-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide
CID 953258
N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
CID 2307230
phenyl N-(4-methoxy-3-nitrophenyl)carbamate
CID 12877201
N-(3-bromo-4-methoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 3533545

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide (CID 108796825) is N-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide is COc1ccc(NC(=O)c2cnccn2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide?
The InChIKey is MHLFVYJPLWZLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4/c1-20-11-3-2-8(6-10(11)16(18)19)15-12(17)9-7-13-4-5-14-9/h2-7H,1H3,(H,15,17).
What are the key properties of N-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide?
N-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide has a molecular weight of 274.24 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 108796825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).