N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide

C18H29N3O — CID 6018184

IUPACN-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide
SMILESCCCCCCCCCCCC(=O)N/N=C\c1cccnc1
InChIInChI=1S/C18H29N3O/c1-2-3-4-5-6-7-8-9-10-13-18(22)21-20-16-17-12-11-14-19-15-17/h11-12,14-16H,2-10,13H2,1H3,(H,21,22)/b20-16-
InChIKeyADSKDVWIXSGMSW-SILNSSARSA-N
MW303.45 g/mol
LogP4.45
Rot. Bonds12

About N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide

N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide (PubChem CID 6018184) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide.

Molecular Properties

Compound NameN-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide
PubChem CID6018184
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide
SMILESCCCCCCCCCCCC(=O)N/N=C\c1cccnc1
InChIInChI=1S/C18H29N3O/c1-2-3-4-5-6-7-8-9-10-13-18(22)21-20-16-17-12-11-14-19-15-17/h11-12,14-16H,2-10,13H2,1H3,(H,21,22)/b20-16-
InChIKeyADSKDVWIXSGMSW-SILNSSARSA-N
XLogP4.45
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.45
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)-pyridin-3-ylmethylideneamino]decanamide
CID 6008044
N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]decanamide
CID 6002218
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide
CID 45055038
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 6042930
N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide
CID 45054960
N-[(3-chlorophenyl)methylideneamino]hexadecanamide
CID 75087758
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307
N-(4-bromophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 3988560
N-(3,4-dimethylphenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 4039695

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide?
The IUPAC name of N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide (CID 6018184) is N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide.
What is the SMILES notation for N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide?
The canonical SMILES for N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide is CCCCCCCCCCCC(=O)N/N=C\c1cccnc1.
What is the InChIKey of N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide?
The InChIKey is ADSKDVWIXSGMSW-SILNSSARSA-N. The full InChI is InChI=1S/C18H29N3O/c1-2-3-4-5-6-7-8-9-10-13-18(22)21-20-16-17-12-11-14-19-15-17/h11-12,14-16H,2-10,13H2,1H3,(H,21,22)/b20-16-.
What are the key properties of N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide?
N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide has a molecular weight of 303.45 g/mol, XLogP of 4.45, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide is sourced from PubChem (CID 6018184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).