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

C13H16N2O2 — CID 12773019

IUPACN-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NN2CC=CCC2)c1
InChIInChI=1S/C13H16N2O2/c1-17-12-7-5-6-11(10-12)13(16)14-15-8-3-2-4-9-15/h2-3,5-7,10H,4,8-9H2,1H3,(H,14,16)
InChIKeyWHAJXLGGJMSYFB-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.60
Rot. Bonds3

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

N-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybenzamide (PubChem CID 12773019) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybenzamide
PubChem CID12773019
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NN2CC=CCC2)c1
InChIInChI=1S/C13H16N2O2/c1-17-12-7-5-6-11(10-12)13(16)14-15-8-3-2-4-9-15/h2-3,5-7,10H,4,8-9H2,1H3,(H,14,16)
InChIKeyWHAJXLGGJMSYFB-UHFFFAOYSA-N
XLogP1.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-3-methoxybenzamide?
The IUPAC name of N-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybenzamide (CID 12773019) is N-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybenzamide?
The canonical SMILES for N-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybenzamide is COc1cccc(C(=O)NN2CC=CCC2)c1.
What is the InChIKey of N-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybenzamide?
The InChIKey is WHAJXLGGJMSYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-17-12-7-5-6-11(10-12)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-methoxybenzamide?
N-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybenzamide has a molecular weight of 232.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxybenzamide is sourced from PubChem (CID 12773019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).