N-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbenzamide

C13H16N2O — CID 12773014

IUPACN-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NN2CC=CCC2)c1
InChIInChI=1S/C13H16N2O/c1-11-6-5-7-12(10-11)13(16)14-15-8-3-2-4-9-15/h2-3,5-7,10H,4,8-9H2,1H3,(H,14,16)
InChIKeyFGOOICOCUWHSTK-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.90
Rot. Bonds2

About N-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbenzamide

N-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbenzamide (PubChem CID 12773014) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbenzamide
PubChem CID12773014
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NN2CC=CCC2)c1
InChIInChI=1S/C13H16N2O/c1-11-6-5-7-12(10-11)13(16)14-15-8-3-2-4-9-15/h2-3,5-7,10H,4,8-9H2,1H3,(H,14,16)
InChIKeyFGOOICOCUWHSTK-UHFFFAOYSA-N
XLogP1.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbenzamide?
The IUPAC name of N-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbenzamide (CID 12773014) is N-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbenzamide.
What is the SMILES notation for N-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbenzamide?
The canonical SMILES for N-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbenzamide is Cc1cccc(C(=O)NN2CC=CCC2)c1.
What is the InChIKey of N-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbenzamide?
The InChIKey is FGOOICOCUWHSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-11-6-5-7-12(10-11)13(16)14-15-8-3-2-4-9-15/h2-3,5-7,10H,4,8-9H2,1H3,(H,14,16).
What are the key properties of N-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbenzamide?
N-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbenzamide has a molecular weight of 216.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbenzamide is sourced from PubChem (CID 12773014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).