N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide

C17H20N2O — CID 138702079

IUPACN-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide
SMILESCc1ncccc1CNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H20N2O/c1-12(2)14-6-8-15(9-7-14)17(20)19-11-16-5-4-10-18-13(16)3/h4-10,12H,11H2,1-3H3,(H,19,20)
InChIKeyWEIKBCMPMGOYLI-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.44
Rot. Bonds4

About N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide

N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide (PubChem CID 138702079) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide
PubChem CID138702079
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide
SMILESCc1ncccc1CNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H20N2O/c1-12(2)14-6-8-15(9-7-14)17(20)19-11-16-5-4-10-18-13(16)3/h4-10,12H,11H2,1-3H3,(H,19,20)
InChIKeyWEIKBCMPMGOYLI-UHFFFAOYSA-N
XLogP3.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide 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-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 175769075
4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9142470
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
N-[(2-chloro-3-pyridinyl)methyl]benzamide
CID 90812537
3-methyl-N-[(2-methyl-3-pyridinyl)methyl]-1,2-oxazole-5-carboxamide
CID 166246895
N-(3-hydroxy-2-pyridinyl)-4-propan-2-ylbenzamide
CID 25333159
6-(4-amino-3-cyanophenyl)-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 164884825
N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide
CID 47292127
N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide
CID 108571670
N-[(3-bromophenyl)methyl]-4-propan-2-ylbenzamide
CID 60739701
4-N-[(2-fluorophenyl)methyl]-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109086373
4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 55980866

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide (CID 138702079) is N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide is Cc1ncccc1CNC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide?
The InChIKey is WEIKBCMPMGOYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12(2)14-6-8-15(9-7-14)17(20)19-11-16-5-4-10-18-13(16)3/h4-10,12H,11H2,1-3H3,(H,19,20).
What are the key properties of N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide?
N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 138702079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).