N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide

C14H11N5O3 — CID 6506022

IUPACN-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide
SMILESO=C(N/N=C\C=C/c1ccccc1[N+](=O)[O-])c1cnccn1
InChIInChI=1S/C14H11N5O3/c20-14(12-10-15-8-9-16-12)18-17-7-3-5-11-4-1-2-6-13(11)19(21)22/h1-10H,(H,18,20)/b5-3-,17-7-
InChIKeyLPHKLEXVOYDEMO-CWCJHYOQSA-N
MW297.27 g/mol
LogP1.81
Rot. Bonds5

About N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide

N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide (PubChem CID 6506022) has the molecular formula C14H11N5O3 and a molecular weight of 297.27 g/mol. Its IUPAC name is N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide
PubChem CID6506022
Molecular FormulaC14H11N5O3
Molecular Weight297.27 g/mol
Exact Mass297.09
IUPAC NameN-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide
SMILESO=C(N/N=C\C=C/c1ccccc1[N+](=O)[O-])c1cnccn1
InChIInChI=1S/C14H11N5O3/c20-14(12-10-15-8-9-16-12)18-17-7-3-5-11-4-1-2-6-13(11)19(21)22/h1-10H,(H,18,20)/b5-3-,17-7-
InChIKeyLPHKLEXVOYDEMO-CWCJHYOQSA-N
XLogP1.81
TPSA110.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.81
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

4-bromo-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1H-pyrrole-2-carboxamide
CID 8982753
N'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide
CID 3127347
N-[(Z)-[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]pyridine-2-carboxamide
CID 7346885
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide
CID 6883391
3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine
CID 4665830
2-amino-4-methyl-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1,3-thiazole-5-carboxamide
CID 75362340
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide
CID 92534356
1-cyclohexyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea
CID 6904289
2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
CID 9467684
N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide
CID 47249635
3-ethyl-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-4-oxophthalazine-1-carboxamide
CID 9462953
N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6901733

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide?
The IUPAC name of N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide (CID 6506022) is N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide is O=C(N/N=C\C=C/c1ccccc1[N+](=O)[O-])c1cnccn1.
What is the InChIKey of N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide?
The InChIKey is LPHKLEXVOYDEMO-CWCJHYOQSA-N. The full InChI is InChI=1S/C14H11N5O3/c20-14(12-10-15-8-9-16-12)18-17-7-3-5-11-4-1-2-6-13(11)19(21)22/h1-10H,(H,18,20)/b5-3-,17-7-.
What are the key properties of N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide?
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide has a molecular weight of 297.27 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide is sourced from PubChem (CID 6506022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).