N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide

C18H21N3O — CID 5337549

IUPACN-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide
SMILESCCCCC/C(=N\NC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C18H21N3O/c1-2-3-5-12-17(15-9-6-4-7-10-15)20-21-18(22)16-11-8-13-19-14-16/h4,6-11,13-14H,2-3,5,12H2,1H3,(H,21,22)/b20-17+
InChIKeyKYIXUXUVKLHSCX-LVZFUZTISA-N
MW295.39 g/mol
LogP3.80
Rot. Bonds7

About N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide

N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide (PubChem CID 5337549) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide
PubChem CID5337549
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide
SMILESCCCCC/C(=N\NC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C18H21N3O/c1-2-3-5-12-17(15-9-6-4-7-10-15)20-21-18(22)16-11-8-13-19-14-16/h4,6-11,13-14H,2-3,5,12H2,1H3,(H,21,22)/b20-17+
InChIKeyKYIXUXUVKLHSCX-LVZFUZTISA-N
XLogP3.80
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-phenylhexylideneamino)pyridine-4-carboxamide
CID 2838403
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113
N-(1-phenylpentylideneamino)octanamide
CID 4676930
4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193
N'-decanoylpyridine-3-carbohydrazide
CID 132992060
N'-dodecanoylpyridine-3-carbohydrazide
CID 171977470
N-(1-pyridin-3-ylethylideneamino)nonanamide
CID 5136280
N-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide
CID 9059924
N-(1-pyridin-3-ylethylideneamino)heptanamide
CID 4162270
methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate
CID 127261696
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide
CID 6062098
(4Z)-4-(4-tert-butylphenyl)-4-(pyridine-3-carbonylhydrazinylidene)butanoate
CID 7987082

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide (CID 5337549) is N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide is CCCCC/C(=N\NC(=O)c1cccnc1)c1ccccc1.
What is the InChIKey of N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide?
The InChIKey is KYIXUXUVKLHSCX-LVZFUZTISA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-3-5-12-17(15-9-6-4-7-10-15)20-21-18(22)16-11-8-13-19-14-16/h4,6-11,13-14H,2-3,5,12H2,1H3,(H,21,22)/b20-17+.
What are the key properties of N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide?
N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 5337549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).