4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen

C17H22N2O — CID 142259068

IUPAC4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen
SMILESCC(C)Cc1ccc(C(=O)NCc2ccccn2)cc1.[H][H]
InChIInChI=1S/C17H20N2O.H2/c1-13(2)11-14-6-8-15(9-7-14)17(20)19-12-16-5-3-4-10-18-16;/h3-10,13H,11-12H2,1-2H3,(H,19,20);1H
InChIKeyAYDHVOGKLSWSIL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.46
Rot. Bonds5

About 4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen

4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen (PubChem CID 142259068) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen
PubChem CID142259068
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen
SMILESCC(C)Cc1ccc(C(=O)NCc2ccccn2)cc1.[H][H]
InChIInChI=1S/C17H20N2O.H2/c1-13(2)11-14-6-8-15(9-7-14)17(20)19-12-16-5-3-4-10-18-16;/h3-10,13H,11-12H2,1-2H3,(H,19,20);1H
InChIKeyAYDHVOGKLSWSIL-UHFFFAOYSA-N
XLogP3.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen 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

4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 90338069
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18136251
4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46055500
5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 82109061
3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105910
4-(imidazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 43921854
N-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
CID 51101128
4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109201520
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047453
4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide
CID 86873559

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen?
The IUPAC name of 4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen (CID 142259068) is 4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen.
What is the SMILES notation for 4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen?
The canonical SMILES for 4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen is CC(C)Cc1ccc(C(=O)NCc2ccccn2)cc1.[H][H].
What is the InChIKey of 4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen?
The InChIKey is AYDHVOGKLSWSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.H2/c1-13(2)11-14-6-8-15(9-7-14)17(20)19-12-16-5-3-4-10-18-16;/h3-10,13H,11-12H2,1-2H3,(H,19,20);1H.
What are the key properties of 4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen?
4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen has a molecular weight of 270.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen is sourced from PubChem (CID 142259068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).