N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide

C22H37N3O — CID 45055038

IUPACN-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccncc1
InChIInChI=1S/C22H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)25-24-20-21-16-18-23-19-17-21/h16-20H,2-15H2,1H3,(H,25,26)/b24-20+
InChIKeyOTJVCVUCTTUMCU-HIXSDJFHSA-N
MW359.56 g/mol
LogP6.01
Rot. Bonds16

About N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide

N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide (PubChem CID 45055038) has the molecular formula C22H37N3O and a molecular weight of 359.56 g/mol. Its IUPAC name is N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide.

Molecular Properties

Compound NameN-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide
PubChem CID45055038
Molecular FormulaC22H37N3O
Molecular Weight359.56 g/mol
Exact Mass359.29
IUPAC NameN-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccncc1
InChIInChI=1S/C22H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)25-24-20-21-16-18-23-19-17-21/h16-20H,2-15H2,1H3,(H,25,26)/b24-20+
InChIKeyOTJVCVUCTTUMCU-HIXSDJFHSA-N
XLogP6.01
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.56
LogP ≤ 56.01
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-[2-oxo-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]decanamide
CID 4228313
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307
N-[(Z)-pyridin-3-ylmethylideneamino]decanamide
CID 6008044
N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide
CID 6018184
N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 29172527
N-[(4-ethylphenyl)methylideneamino]heptanamide
CID 4107938
4-[(octanoylhydrazinylidene)methyl]benzoic acid
CID 171131907
N-[(E)-(4-propylphenyl)methylideneamino]decanamide
CID 6012136
N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide
CID 6012632
N-[(4-chlorophenyl)methylideneamino]hexanamide
CID 4197078

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide?
The IUPAC name of N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide (CID 45055038) is N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide.
What is the SMILES notation for N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide?
The canonical SMILES for N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide is CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccncc1.
What is the InChIKey of N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide?
The InChIKey is OTJVCVUCTTUMCU-HIXSDJFHSA-N. The full InChI is InChI=1S/C22H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)25-24-20-21-16-18-23-19-17-21/h16-20H,2-15H2,1H3,(H,25,26)/b24-20+.
What are the key properties of N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide?
N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide has a molecular weight of 359.56 g/mol, XLogP of 6.01, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide is sourced from PubChem (CID 45055038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).