N-[3-(3-nitrophenyl)prop-2-enylideneamino]pyridine-3-carboxamide

C15H12N4O3 — CID 4616774

IUPACN-[3-(3-nitrophenyl)prop-2-enylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=CC=Cc1cccc([N+](=O)[O-])c1)c1cccnc1
InChIInChI=1S/C15H12N4O3/c20-15(13-6-3-8-16-11-13)18-17-9-2-5-12-4-1-7-14(10-12)19(21)22/h1-11H,(H,18,20)
InChIKeyRVJUPELEUGPWTK-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.42
Rot. Bonds5

About N-[3-(3-nitrophenyl)prop-2-enylideneamino]pyridine-3-carboxamide

N-[3-(3-nitrophenyl)prop-2-enylideneamino]pyridine-3-carboxamide (PubChem CID 4616774) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is N-[3-(3-nitrophenyl)prop-2-enylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-nitrophenyl)prop-2-enylideneamino]pyridine-3-carboxamide
PubChem CID4616774
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC NameN-[3-(3-nitrophenyl)prop-2-enylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=CC=Cc1cccc([N+](=O)[O-])c1)c1cccnc1
InChIInChI=1S/C15H12N4O3/c20-15(13-6-3-8-16-11-13)18-17-9-2-5-12-4-1-7-14(10-12)19(21)22/h1-11H,(H,18,20)
InChIKeyRVJUPELEUGPWTK-UHFFFAOYSA-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-[[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 129438467
N-[(Z)-[(Z)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide
CID 7315708
N-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 830822
N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide
CID 6885582
4-nitro-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]benzamide
CID 92529886
[4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
CID 2326727
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3328921
N-(prop-2-enylideneamino)pyridine-3-carboxamide
CID 4591479
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 5398288
N-[(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 3478213
N-[(Z)-1-(2-hydroxy-5-nitrophenyl)ethylideneamino]pyridine-3-carboxamide
CID 136698137

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-nitrophenyl)prop-2-enylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[3-(3-nitrophenyl)prop-2-enylideneamino]pyridine-3-carboxamide (CID 4616774) is N-[3-(3-nitrophenyl)prop-2-enylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3-nitrophenyl)prop-2-enylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(3-nitrophenyl)prop-2-enylideneamino]pyridine-3-carboxamide is O=C(NN=CC=Cc1cccc([N+](=O)[O-])c1)c1cccnc1.
What is the InChIKey of N-[3-(3-nitrophenyl)prop-2-enylideneamino]pyridine-3-carboxamide?
The InChIKey is RVJUPELEUGPWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c20-15(13-6-3-8-16-11-13)18-17-9-2-5-12-4-1-7-14(10-12)19(21)22/h1-11H,(H,18,20).
What are the key properties of N-[3-(3-nitrophenyl)prop-2-enylideneamino]pyridine-3-carboxamide?
N-[3-(3-nitrophenyl)prop-2-enylideneamino]pyridine-3-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-[3-(3-nitrophenyl)prop-2-enylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 4616774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).