N-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide

C24H33N3O — CID 5002816

IUPACN-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=C(c1ccccc1)c1ccncc1
InChIInChI=1S/C24H33N3O/c1-2-3-4-5-6-7-8-9-13-16-23(28)26-27-24(21-14-11-10-12-15-21)22-17-19-25-20-18-22/h10-12,14-15,17-20H,2-9,13,16H2,1H3,(H,26,28)
InChIKeyVEKIAHXQRDCRIX-UHFFFAOYSA-N
MW379.55 g/mol
LogP5.87
Rot. Bonds13

About N-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide

N-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide (PubChem CID 5002816) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide.

Molecular Properties

Compound NameN-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide
PubChem CID5002816
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC NameN-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=C(c1ccccc1)c1ccncc1
InChIInChI=1S/C24H33N3O/c1-2-3-4-5-6-7-8-9-13-16-23(28)26-27-24(21-14-11-10-12-15-21)22-17-19-25-20-18-22/h10-12,14-15,17-20H,2-9,13,16H2,1H3,(H,26,28)
InChIKeyVEKIAHXQRDCRIX-UHFFFAOYSA-N
XLogP5.87
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 55.87
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-[(Z)-1-pyridin-4-ylethylideneamino]nonanamide
CID 6373697
N-(1-phenylpentylideneamino)octanamide
CID 4676930
N-(1-phenylhexylideneamino)pyridine-4-carboxamide
CID 2838403
N-(benzhydrylideneamino)-7-(difluoromethylidene)nonanamide
CID 86058370
N-(1-pyridin-3-ylethylideneamino)nonanamide
CID 5136280
N-(1-pyridin-3-ylethylideneamino)heptanamide
CID 4162270
N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide
CID 6163036
N-(1-phenylpropylideneamino)pentanamide
CID 4996868
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497
N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide
CID 45055038
4-(2-benzhydrylidenehydrazinyl)-4-oxobutanoic acid
CID 2063521
2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide
CID 840449

Frequently Asked Questions

What is the IUPAC name of N-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide?
The IUPAC name of N-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide (CID 5002816) is N-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide.
What is the SMILES notation for N-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide?
The canonical SMILES for N-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide is CCCCCCCCCCCC(=O)NN=C(c1ccccc1)c1ccncc1.
What is the InChIKey of N-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide?
The InChIKey is VEKIAHXQRDCRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-2-3-4-5-6-7-8-9-13-16-23(28)26-27-24(21-14-11-10-12-15-21)22-17-19-25-20-18-22/h10-12,14-15,17-20H,2-9,13,16H2,1H3,(H,26,28).
What are the key properties of N-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide?
N-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide has a molecular weight of 379.55 g/mol, XLogP of 5.87, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide is sourced from PubChem (CID 5002816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).