3-amino-N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide

C12H11N5O3 — CID 47290749

IUPAC3-amino-N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H11N5O3/c13-11-10(14-5-6-15-11)12(18)16-7-8-3-1-2-4-9(8)17(19)20/h1-6H,7H2,(H2,13,15)(H,16,18)
InChIKeyAZKLIRLVPNTEGO-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.90
Rot. Bonds4

About 3-amino-N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide

3-amino-N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 47290749) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3-amino-N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide
PubChem CID47290749
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name3-amino-N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H11N5O3/c13-11-10(14-5-6-15-11)12(18)16-7-8-3-1-2-4-9(8)17(19)20/h1-6H,7H2,(H2,13,15)(H,16,18)
InChIKeyAZKLIRLVPNTEGO-UHFFFAOYSA-N
XLogP0.90
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.90
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-nitrophenyl)methyl]pyrazine-2-carboxamide
CID 47249635
(2-nitrophenyl)methylcarbamic acid
CID 18621803
2,3-difluoro-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide
CID 105381119
2-(2-hydroxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 24873981
N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 116649980
N-[(2-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 60979424
4-amino-2-fluoro-N-[(2-nitrophenyl)methyl]benzamide
CID 107794442
(2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide
CID 78979257
3-amino-N-[(2-nitrophenyl)methyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 10480392
5-[(2-nitrophenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 104607472
4-amino-N-[(2-methyl-3-nitrophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 103109439
N-[[2-(aminomethyl)phenyl]methyl]-2-nitrobenzamide
CID 62951005

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide (CID 47290749) is 3-amino-N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)NCc1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-amino-N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is AZKLIRLVPNTEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c13-11-10(14-5-6-15-11)12(18)16-7-8-3-1-2-4-9(8)17(19)20/h1-6H,7H2,(H2,13,15)(H,16,18).
What are the key properties of 3-amino-N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide?
3-amino-N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 273.25 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 47290749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).