N-[1-(4-nitrophenyl)ethylideneamino]pyrazine-2-carboxamide

C13H11N5O3 — CID 3836792

IUPACN-[1-(4-nitrophenyl)ethylideneamino]pyrazine-2-carboxamide
SMILESCC(=NNC(=O)c1cnccn1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11N5O3/c1-9(10-2-4-11(5-3-10)18(20)21)16-17-13(19)12-8-14-6-7-15-12/h2-8H,1H3,(H,17,19)
InChIKeyLMXXCGYMBZAKHQ-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.54
Rot. Bonds4

About N-[1-(4-nitrophenyl)ethylideneamino]pyrazine-2-carboxamide

N-[1-(4-nitrophenyl)ethylideneamino]pyrazine-2-carboxamide (PubChem CID 3836792) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-[1-(4-nitrophenyl)ethylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-nitrophenyl)ethylideneamino]pyrazine-2-carboxamide
PubChem CID3836792
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC NameN-[1-(4-nitrophenyl)ethylideneamino]pyrazine-2-carboxamide
SMILESCC(=NNC(=O)c1cnccn1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11N5O3/c1-9(10-2-4-11(5-3-10)18(20)21)16-17-13(19)12-8-14-6-7-15-12/h2-8H,1H3,(H,17,19)
InChIKeyLMXXCGYMBZAKHQ-UHFFFAOYSA-N
XLogP1.54
TPSA110.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]pyrazine-2-carboxamide
CID 135880330
N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 139078457
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide
CID 9014822
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
N-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]pyrazine-2-carboxamide
CID 96996113
N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 5403042
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3516509
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5334715
N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide
CID 6299283
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-4-nitrobenzamide
CID 5438350

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-nitrophenyl)ethylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(4-nitrophenyl)ethylideneamino]pyrazine-2-carboxamide (CID 3836792) is N-[1-(4-nitrophenyl)ethylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(4-nitrophenyl)ethylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(4-nitrophenyl)ethylideneamino]pyrazine-2-carboxamide is CC(=NNC(=O)c1cnccn1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[1-(4-nitrophenyl)ethylideneamino]pyrazine-2-carboxamide?
The InChIKey is LMXXCGYMBZAKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3/c1-9(10-2-4-11(5-3-10)18(20)21)16-17-13(19)12-8-14-6-7-15-12/h2-8H,1H3,(H,17,19).
What are the key properties of N-[1-(4-nitrophenyl)ethylideneamino]pyrazine-2-carboxamide?
N-[1-(4-nitrophenyl)ethylideneamino]pyrazine-2-carboxamide has a molecular weight of 285.26 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-nitrophenyl)ethylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 3836792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).