6-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide

C17H17N3O — CID 5405094

IUPAC6-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
SMILESCC(/C=N\NC(=O)c1ccc(C)nc1)=C\c1ccccc1
InChIInChI=1S/C17H17N3O/c1-13(10-15-6-4-3-5-7-15)11-19-20-17(21)16-9-8-14(2)18-12-16/h3-12H,1-2H3,(H,20,21)/b13-10+,19-11-
InChIKeyOTQMLBATXFZDDG-UUACLZHGSA-N
MW279.34 g/mol
LogP3.21
Rot. Bonds4

About 6-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide

6-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide (PubChem CID 5405094) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
PubChem CID5405094
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name6-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
SMILESCC(/C=N\NC(=O)c1ccc(C)nc1)=C\c1ccccc1
InChIInChI=1S/C17H17N3O/c1-13(10-15-6-4-3-5-7-15)11-19-20-17(21)16-9-8-14(2)18-12-16/h3-12H,1-2H3,(H,20,21)/b13-10+,19-11-
InChIKeyOTQMLBATXFZDDG-UUACLZHGSA-N
XLogP3.21
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 203870
Nicotinic acid, hydrazide
CID 11112
Crotoniazide
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N'-(4-fluorobenzylidene)isonicotinohydrazide
CID 6861407
Nicotinanilide
CID 74463
3-Acetyl-6-methylpyridine
CID 95292
4-Methylbenzaldehyde isonicotinoyl hydrazone
CID 9554862
N'-[(1E)-pyridin-2-ylmethylene]isonicotinohydrazide
CID 5469565
N'-(propan-2-ylidene)isonicotinohydrazide
CID 72487
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
CID 6869295

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide (CID 5405094) is 6-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide is CC(/C=N\NC(=O)c1ccc(C)nc1)=C\c1ccccc1.
What is the InChIKey of 6-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
The InChIKey is OTQMLBATXFZDDG-UUACLZHGSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13(10-15-6-4-3-5-7-15)11-19-20-17(21)16-9-8-14(2)18-12-16/h3-12H,1-2H3,(H,20,21)/b13-10+,19-11-.
What are the key properties of 6-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
6-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide is sourced from PubChem (CID 5405094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).