2-ethyl-N-(pyridin-4-ylmethyl)hexanamide

C14H22N2O — CID 3492228

IUPAC2-ethyl-N-(pyridin-4-ylmethyl)hexanamide
SMILESCCCCC(CC)C(=O)NCc1ccncc1
InChIInChI=1S/C14H22N2O/c1-3-5-6-13(4-2)14(17)16-11-12-7-9-15-10-8-12/h7-10,13H,3-6,11H2,1-2H3,(H,16,17)
InChIKeyQZCXVLIVEOVYDV-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.91
Rot. Bonds7

About 2-ethyl-N-(pyridin-4-ylmethyl)hexanamide

2-ethyl-N-(pyridin-4-ylmethyl)hexanamide (PubChem CID 3492228) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-ethyl-N-(pyridin-4-ylmethyl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N-(pyridin-4-ylmethyl)hexanamide
PubChem CID3492228
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-ethyl-N-(pyridin-4-ylmethyl)hexanamide
SMILESCCCCC(CC)C(=O)NCc1ccncc1
InChIInChI=1S/C14H22N2O/c1-3-5-6-13(4-2)14(17)16-11-12-7-9-15-10-8-12/h7-10,13H,3-6,11H2,1-2H3,(H,16,17)
InChIKeyQZCXVLIVEOVYDV-UHFFFAOYSA-N
XLogP2.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]-2-ethylhexanamide
CID 107233438
N-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide
CID 150273254
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
2-(pyridin-4-ylmethylamino)hexanoic acid
CID 103236246
N-benzyl-4-(2-ethylhexanoylamino)benzamide
CID 546715
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61148496
2,2-dimethyl-N-(pyridin-4-ylmethyl)heptanamide
CID 135208415
N-(pyridin-4-ylmethyl)heptan-3-amine
CID 63947303
(2R)-N-(3,3-diphenylpropyl)-2-ethylhexanamide
CID 7112392
N-benzyl-2-ethyl-8-hydroxy-6-methyl-7-oxooctanamide
CID 164954061
(2S)-2,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide;ethane;molecular hydrogen
CID 143277001

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(pyridin-4-ylmethyl)hexanamide?
The IUPAC name of 2-ethyl-N-(pyridin-4-ylmethyl)hexanamide (CID 3492228) is 2-ethyl-N-(pyridin-4-ylmethyl)hexanamide.
What is the SMILES notation for 2-ethyl-N-(pyridin-4-ylmethyl)hexanamide?
The canonical SMILES for 2-ethyl-N-(pyridin-4-ylmethyl)hexanamide is CCCCC(CC)C(=O)NCc1ccncc1.
What is the InChIKey of 2-ethyl-N-(pyridin-4-ylmethyl)hexanamide?
The InChIKey is QZCXVLIVEOVYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-5-6-13(4-2)14(17)16-11-12-7-9-15-10-8-12/h7-10,13H,3-6,11H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-N-(pyridin-4-ylmethyl)hexanamide?
2-ethyl-N-(pyridin-4-ylmethyl)hexanamide has a molecular weight of 234.34 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(pyridin-4-ylmethyl)hexanamide is sourced from PubChem (CID 3492228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).