N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide

C15H12N4O3 — CID 6887948

IUPACN-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide
SMILESO=C(N/N=C/C=C/c1cccc([N+](=O)[O-])c1)c1ccncc1
InChIInChI=1S/C15H12N4O3/c20-15(13-6-9-16-10-7-13)18-17-8-2-4-12-3-1-5-14(11-12)19(21)22/h1-11H,(H,18,20)/b4-2+,17-8+
InChIKeyALVBNBDHRRMTDX-RJMXLKIRSA-N
MW296.29 g/mol
LogP2.42
Rot. Bonds5

About N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide

N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide (PubChem CID 6887948) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide
PubChem CID6887948
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC NameN-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide
SMILESO=C(N/N=C/C=C/c1cccc([N+](=O)[O-])c1)c1ccncc1
InChIInChI=1S/C15H12N4O3/c20-15(13-6-9-16-10-7-13)18-17-8-2-4-12-3-1-5-14(11-12)19(21)22/h1-11H,(H,18,20)/b4-2+,17-8+
InChIKeyALVBNBDHRRMTDX-RJMXLKIRSA-N
XLogP2.42
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-Cyclohexylideneisonicotinohydrazide
CID 27256
4-Pyridinecarboxylic acid, 2-(4-methylcyclohexylidene)hydrazide
CID 203870
Crotoniazide
CID 5369886
N'-(4-fluorobenzylidene)isonicotinohydrazide
CID 6861407
4-Pyridinecarboxylic (3-nitrobenzylidene)hydrazide
CID 6870302
4-Methylbenzaldehyde isonicotinoyl hydrazone
CID 9554862
N'-[(1E)-pyridin-2-ylmethylene]isonicotinohydrazide
CID 5469565
N'-(propan-2-ylidene)isonicotinohydrazide
CID 72487
Crotonaldehyde isonicotinic acid hydrazone
CID 5717190
N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 5333835
N'-Isonicotinoylbenzohydrazide
CID 569538
4-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 676069

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide (CID 6887948) is N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide is O=C(N/N=C/C=C/c1cccc([N+](=O)[O-])c1)c1ccncc1.
What is the InChIKey of N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide?
The InChIKey is ALVBNBDHRRMTDX-RJMXLKIRSA-N. The full InChI is InChI=1S/C15H12N4O3/c20-15(13-6-9-16-10-7-13)18-17-8-2-4-12-3-1-5-14(11-12)19(21)22/h1-11H,(H,18,20)/b4-2+,17-8+.
What are the key properties of N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide?
N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide is sourced from PubChem (CID 6887948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).