2,2-dimethyl-N-(pyridin-4-ylmethyl)heptanamide

C15H24N2O — CID 135208415

IUPAC2,2-dimethyl-N-(pyridin-4-ylmethyl)heptanamide
SMILESCCCCCC(C)(C)C(=O)NCc1ccncc1
InChIInChI=1S/C15H24N2O/c1-4-5-6-9-15(2,3)14(18)17-12-13-7-10-16-11-8-13/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,17,18)
InChIKeyXXVMNFLMTJXWRB-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.30
Rot. Bonds7

About 2,2-dimethyl-N-(pyridin-4-ylmethyl)heptanamide

2,2-dimethyl-N-(pyridin-4-ylmethyl)heptanamide (PubChem CID 135208415) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-(pyridin-4-ylmethyl)heptanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(pyridin-4-ylmethyl)heptanamide
PubChem CID135208415
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2,2-dimethyl-N-(pyridin-4-ylmethyl)heptanamide
SMILESCCCCCC(C)(C)C(=O)NCc1ccncc1
InChIInChI=1S/C15H24N2O/c1-4-5-6-9-15(2,3)14(18)17-12-13-7-10-16-11-8-13/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,17,18)
InChIKeyXXVMNFLMTJXWRB-UHFFFAOYSA-N
XLogP3.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-N-(pyridin-4-ylmethyl)heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
N-ethyl-2,2-dimethylheptanamide
CID 168939290
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-4-ylmethyl)propanediamide
CID 108961964
2-ethyl-N-(pyridin-4-ylmethyl)hexanamide
CID 3492228
N-[(2,4-difluorophenyl)methyl]-2,2-dimethylundecanamide
CID 57218649
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109012394
N-(3-methyloctan-3-yl)pyridin-4-amine
CID 134415197
2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963689
N-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213415
molecular hydrogen;N-[4-(pyridin-4-ylmethylamino)phenyl]octanamide
CID 154663589
11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide
CID 71069950

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(pyridin-4-ylmethyl)heptanamide?
The IUPAC name of 2,2-dimethyl-N-(pyridin-4-ylmethyl)heptanamide (CID 135208415) is 2,2-dimethyl-N-(pyridin-4-ylmethyl)heptanamide.
What is the SMILES notation for 2,2-dimethyl-N-(pyridin-4-ylmethyl)heptanamide?
The canonical SMILES for 2,2-dimethyl-N-(pyridin-4-ylmethyl)heptanamide is CCCCCC(C)(C)C(=O)NCc1ccncc1.
What is the InChIKey of 2,2-dimethyl-N-(pyridin-4-ylmethyl)heptanamide?
The InChIKey is XXVMNFLMTJXWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-5-6-9-15(2,3)14(18)17-12-13-7-10-16-11-8-13/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,17,18).
What are the key properties of 2,2-dimethyl-N-(pyridin-4-ylmethyl)heptanamide?
2,2-dimethyl-N-(pyridin-4-ylmethyl)heptanamide has a molecular weight of 248.37 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(pyridin-4-ylmethyl)heptanamide is sourced from PubChem (CID 135208415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).