N-(2-fluoro-4-nitrophenyl)-5-(methylamino)pyrazine-2-carboxamide

C12H10FN5O3 — CID 107375271

IUPACN-(2-fluoro-4-nitrophenyl)-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)cn1
InChIInChI=1S/C12H10FN5O3/c1-14-11-6-15-10(5-16-11)12(19)17-9-3-2-7(18(20)21)4-8(9)13/h2-6H,1H3,(H,14,16)(H,17,19)
InChIKeyAGCMJZVZULPPCB-UHFFFAOYSA-N
MW291.24 g/mol
LogP1.82
Rot. Bonds4

About N-(2-fluoro-4-nitrophenyl)-5-(methylamino)pyrazine-2-carboxamide

N-(2-fluoro-4-nitrophenyl)-5-(methylamino)pyrazine-2-carboxamide (PubChem CID 107375271) has the molecular formula C12H10FN5O3 and a molecular weight of 291.24 g/mol. Its IUPAC name is N-(2-fluoro-4-nitrophenyl)-5-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-nitrophenyl)-5-(methylamino)pyrazine-2-carboxamide
PubChem CID107375271
Molecular FormulaC12H10FN5O3
Molecular Weight291.24 g/mol
Exact Mass291.08
IUPAC NameN-(2-fluoro-4-nitrophenyl)-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)cn1
InChIInChI=1S/C12H10FN5O3/c1-14-11-6-15-10(5-16-11)12(19)17-9-3-2-7(18(20)21)4-8(9)13/h2-6H,1H3,(H,14,16)(H,17,19)
InChIKeyAGCMJZVZULPPCB-UHFFFAOYSA-N
XLogP1.82
TPSA110.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 51.82
H-Bond Donors ≤ 52
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-(2-fluoro-4-nitrophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62178849
N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107378095
N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374291
N-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107606098
N-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107373971
4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide
CID 115745847
2-(aminomethyl)-N-(2-fluoro-4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 66377693
3-chloro-N-(2-fluoro-4-nitrophenyl)-4-iodobenzamide
CID 103738031
N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide
CID 4173118
2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
3-bromo-5-chloro-N-(2-fluoro-4-nitrophenyl)benzamide
CID 103827004
5-(2,6-difluoroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide
CID 109294504

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-nitrophenyl)-5-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-fluoro-4-nitrophenyl)-5-(methylamino)pyrazine-2-carboxamide (CID 107375271) is N-(2-fluoro-4-nitrophenyl)-5-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-nitrophenyl)-5-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-fluoro-4-nitrophenyl)-5-(methylamino)pyrazine-2-carboxamide is CNc1cnc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)cn1.
What is the InChIKey of N-(2-fluoro-4-nitrophenyl)-5-(methylamino)pyrazine-2-carboxamide?
The InChIKey is AGCMJZVZULPPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O3/c1-14-11-6-15-10(5-16-11)12(19)17-9-3-2-7(18(20)21)4-8(9)13/h2-6H,1H3,(H,14,16)(H,17,19).
What are the key properties of N-(2-fluoro-4-nitrophenyl)-5-(methylamino)pyrazine-2-carboxamide?
N-(2-fluoro-4-nitrophenyl)-5-(methylamino)pyrazine-2-carboxamide has a molecular weight of 291.24 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-nitrophenyl)-5-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107375271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).