N-[4-(pyridin-4-ylmethyl)phenyl]hexanamide

C18H22N2O — CID 3110124

IUPACN-[4-(pyridin-4-ylmethyl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C18H22N2O/c1-2-3-4-5-18(21)20-17-8-6-15(7-9-17)14-16-10-12-19-13-11-16/h6-13H,2-5,14H2,1H3,(H,20,21)
InChIKeyZCYYOQOGYFMPCY-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.19
Rot. Bonds7

About N-[4-(pyridin-4-ylmethyl)phenyl]hexanamide

N-[4-(pyridin-4-ylmethyl)phenyl]hexanamide (PubChem CID 3110124) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[4-(pyridin-4-ylmethyl)phenyl]hexanamide.

Molecular Properties

Compound NameN-[4-(pyridin-4-ylmethyl)phenyl]hexanamide
PubChem CID3110124
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[4-(pyridin-4-ylmethyl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C18H22N2O/c1-2-3-4-5-18(21)20-17-8-6-15(7-9-17)14-16-10-12-19-13-11-16/h6-13H,2-5,14H2,1H3,(H,20,21)
InChIKeyZCYYOQOGYFMPCY-UHFFFAOYSA-N
XLogP4.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-4-ylmethyl)phenyl]hexanamide?
The IUPAC name of N-[4-(pyridin-4-ylmethyl)phenyl]hexanamide (CID 3110124) is N-[4-(pyridin-4-ylmethyl)phenyl]hexanamide.
What is the SMILES notation for N-[4-(pyridin-4-ylmethyl)phenyl]hexanamide?
The canonical SMILES for N-[4-(pyridin-4-ylmethyl)phenyl]hexanamide is CCCCCC(=O)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of N-[4-(pyridin-4-ylmethyl)phenyl]hexanamide?
The InChIKey is ZCYYOQOGYFMPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-3-4-5-18(21)20-17-8-6-15(7-9-17)14-16-10-12-19-13-11-16/h6-13H,2-5,14H2,1H3,(H,20,21).
What are the key properties of N-[4-(pyridin-4-ylmethyl)phenyl]hexanamide?
N-[4-(pyridin-4-ylmethyl)phenyl]hexanamide has a molecular weight of 282.39 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-4-ylmethyl)phenyl]hexanamide is sourced from PubChem (CID 3110124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).