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

C12H10N4O3 — CID 47249635

IUPACN-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccccc1[N+](=O)[O-])c1cnccn1
InChIInChI=1S/C12H10N4O3/c17-12(10-8-13-5-6-14-10)15-7-9-3-1-2-4-11(9)16(18)19/h1-6,8H,7H2,(H,15,17)
InChIKeyCOPWKCVJHQICLP-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.31
Rot. Bonds4

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

N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 47249635) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide
PubChem CID47249635
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC NameN-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccccc1[N+](=O)[O-])c1cnccn1
InChIInChI=1S/C12H10N4O3/c17-12(10-8-13-5-6-14-10)15-7-9-3-1-2-4-11(9)16(18)19/h1-6,8H,7H2,(H,15,17)
InChIKeyCOPWKCVJHQICLP-UHFFFAOYSA-N
XLogP1.31
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.31
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

3-amino-N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide
CID 47290749
N'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide
CID 3127347
N-[(2-nitrophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 87004911
N-[(2-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 60979424
(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
2-(4-chlorophenyl)-N-[(2-nitrophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 55798911
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide
CID 6506022
N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 65110200
N-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide
CID 49003633
N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
CID 110793747

Frequently Asked Questions

What is the IUPAC name of N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide (CID 47249635) is N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide is O=C(NCc1ccccc1[N+](=O)[O-])c1cnccn1.
What is the InChIKey of N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is COPWKCVJHQICLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c17-12(10-8-13-5-6-14-10)15-7-9-3-1-2-4-11(9)16(18)19/h1-6,8H,7H2,(H,15,17).
What are the key properties of N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide?
N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 258.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 47249635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).