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

C13H16N2O — CID 12773013

IUPACN-(3,6-dihydro-2H-pyridin-1-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NN1CC=CCC1
InChIInChI=1S/C13H16N2O/c1-11-7-3-4-8-12(11)13(16)14-15-9-5-2-6-10-15/h2-5,7-8H,6,9-10H2,1H3,(H,14,16)
InChIKeyBDZCBTMHOMDXPT-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.90
Rot. Bonds2

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

N-(3,6-dihydro-2H-pyridin-1-yl)-2-methylbenzamide (PubChem CID 12773013) 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)-2-methylbenzamide.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyridin-1-yl)-2-methylbenzamide
PubChem CID12773013
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(3,6-dihydro-2H-pyridin-1-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NN1CC=CCC1
InChIInChI=1S/C13H16N2O/c1-11-7-3-4-8-12(11)13(16)14-15-9-5-2-6-10-15/h2-5,7-8H,6,9-10H2,1H3,(H,14,16)
InChIKeyBDZCBTMHOMDXPT-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyridin-1-yl)-2-methylbenzamide?
The IUPAC name of N-(3,6-dihydro-2H-pyridin-1-yl)-2-methylbenzamide (CID 12773013) is N-(3,6-dihydro-2H-pyridin-1-yl)-2-methylbenzamide.
What is the SMILES notation for N-(3,6-dihydro-2H-pyridin-1-yl)-2-methylbenzamide?
The canonical SMILES for N-(3,6-dihydro-2H-pyridin-1-yl)-2-methylbenzamide is Cc1ccccc1C(=O)NN1CC=CCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyridin-1-yl)-2-methylbenzamide?
The InChIKey is BDZCBTMHOMDXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-11-7-3-4-8-12(11)13(16)14-15-9-5-2-6-10-15/h2-5,7-8H,6,9-10H2,1H3,(H,14,16).
What are the key properties of N-(3,6-dihydro-2H-pyridin-1-yl)-2-methylbenzamide?
N-(3,6-dihydro-2H-pyridin-1-yl)-2-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)-2-methylbenzamide is sourced from PubChem (CID 12773013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).