5-(2-nitroanilino)pyrazine-2-carboxamide

C11H9N5O3 — CID 58993790

IUPAC5-(2-nitroanilino)pyrazine-2-carboxamide
SMILESNC(=O)c1cnc(Nc2ccccc2[N+](=O)[O-])cn1
InChIInChI=1S/C11H9N5O3/c12-11(17)8-5-14-10(6-13-8)15-7-3-1-2-4-9(7)16(18)19/h1-6H,(H2,12,17)(H,14,15)
InChIKeyOKLVRFHJHCRYGU-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.23
Rot. Bonds4

About 5-(2-nitroanilino)pyrazine-2-carboxamide

5-(2-nitroanilino)pyrazine-2-carboxamide (PubChem CID 58993790) has the molecular formula C11H9N5O3 and a molecular weight of 259.23 g/mol. Its IUPAC name is 5-(2-nitroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-nitroanilino)pyrazine-2-carboxamide
PubChem CID58993790
Molecular FormulaC11H9N5O3
Molecular Weight259.23 g/mol
Exact Mass259.07
IUPAC Name5-(2-nitroanilino)pyrazine-2-carboxamide
SMILESNC(=O)c1cnc(Nc2ccccc2[N+](=O)[O-])cn1
InChIInChI=1S/C11H9N5O3/c12-11(17)8-5-14-10(6-13-8)15-7-3-1-2-4-9(7)16(18)19/h1-6H,(H2,12,17)(H,14,15)
InChIKeyOKLVRFHJHCRYGU-UHFFFAOYSA-N
XLogP1.23
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.23
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

[5-(2-nitroanilino)pyrazine-2-carbonyl]azanide;yttrium
CID 58993789
carbamic acid;N-methyl-2-nitroaniline
CID 175546963
5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294656
3-[2-(2-nitrophenyl)hydrazinyl]pyrazine-2-carboxamide
CID 121414999
N-(2-nitrophenyl)quinolin-2-amine
CID 54688542
6-methyl-N-(2-nitrophenyl)pyridin-2-amine
CID 69251400
5-N-(2-nitrophenyl)-2-N-(oxetan-3-yl)pyridine-2,5-diamine
CID 150511289
2-[2-(2-nitroanilino)phenyl]acetic acid
CID 18546327
3-methyl-2-(2-nitroanilino)butanamide
CID 75429977
N-(2-nitrophenyl)pyridin-4-amine
CID 2784609
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine
CID 142497262

Frequently Asked Questions

What is the IUPAC name of 5-(2-nitroanilino)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-nitroanilino)pyrazine-2-carboxamide (CID 58993790) is 5-(2-nitroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-nitroanilino)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-nitroanilino)pyrazine-2-carboxamide is NC(=O)c1cnc(Nc2ccccc2[N+](=O)[O-])cn1.
What is the InChIKey of 5-(2-nitroanilino)pyrazine-2-carboxamide?
The InChIKey is OKLVRFHJHCRYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O3/c12-11(17)8-5-14-10(6-13-8)15-7-3-1-2-4-9(7)16(18)19/h1-6H,(H2,12,17)(H,14,15).
What are the key properties of 5-(2-nitroanilino)pyrazine-2-carboxamide?
5-(2-nitroanilino)pyrazine-2-carboxamide has a molecular weight of 259.23 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 58993790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).