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

C15H12N4O3 — CID 6886340

IUPACN-[(E)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide
SMILESO=C(N/N=C/C=C\c1ccc([N+](=O)[O-])cc1)c1cccnc1
InChIInChI=1S/C15H12N4O3/c20-15(13-4-2-9-16-11-13)18-17-10-1-3-12-5-7-14(8-6-12)19(21)22/h1-11H,(H,18,20)/b3-1-,17-10+
InChIKeyKNIRURVIOAXZHB-PVKGRFSYSA-N
MW296.29 g/mol
LogP2.42
Rot. Bonds5

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

N-[(E)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide (PubChem CID 6886340) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is N-[(E)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide
PubChem CID6886340
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC NameN-[(E)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide
SMILESO=C(N/N=C/C=C\c1ccc([N+](=O)[O-])cc1)c1cccnc1
InChIInChI=1S/C15H12N4O3/c20-15(13-4-2-9-16-11-13)18-17-10-1-3-12-5-7-14(8-6-12)19(21)22/h1-11H,(H,18,20)/b3-1-,17-10+
InChIKeyKNIRURVIOAXZHB-PVKGRFSYSA-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

CID 6870302
CID 6870302
CID 83332
CID 83332
CID 6869295
CID 6869295
CID 5333835
CID 5333835
CID 676069
CID 676069
CID 5340499
CID 5340499
CID 6862522
CID 6862522
CID 3078467
CID 3078467
CID 6862358
CID 6862358
CID 6870931
CID 6870931
CID 2906793
CID 2906793
CID 5872358
CID 5872358

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide (CID 6886340) is N-[(E)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide is O=C(N/N=C/C=C\c1ccc([N+](=O)[O-])cc1)c1cccnc1.
What is the InChIKey of N-[(E)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide?
The InChIKey is KNIRURVIOAXZHB-PVKGRFSYSA-N. The full InChI is InChI=1S/C15H12N4O3/c20-15(13-4-2-9-16-11-13)18-17-10-1-3-12-5-7-14(8-6-12)19(21)22/h1-11H,(H,18,20)/b3-1-,17-10+.
What are the key properties of N-[(E)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide?
N-[(E)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]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-[(E)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide is sourced from PubChem (CID 6886340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).