N-[(1-methoxycyclobutyl)methyl]-2-methyl-3-pyridin-2-ylbenzamide

C19H22N2O2 — CID 136521765

IUPACN-[(1-methoxycyclobutyl)methyl]-2-methyl-3-pyridin-2-ylbenzamide
SMILESCOC1(CNC(=O)c2cccc(-c3ccccn3)c2C)CCC1
InChIInChI=1S/C19H22N2O2/c1-14-15(17-9-3-4-12-20-17)7-5-8-16(14)18(22)21-13-19(23-2)10-6-11-19/h3-5,7-9,12H,6,10-11,13H2,1-2H3,(H,21,22)
InChIKeyAWHCCBQITPCDDF-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.36
Rot. Bonds5

About N-[(1-methoxycyclobutyl)methyl]-2-methyl-3-pyridin-2-ylbenzamide

N-[(1-methoxycyclobutyl)methyl]-2-methyl-3-pyridin-2-ylbenzamide (PubChem CID 136521765) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-2-methyl-3-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-2-methyl-3-pyridin-2-ylbenzamide
PubChem CID136521765
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-2-methyl-3-pyridin-2-ylbenzamide
SMILESCOC1(CNC(=O)c2cccc(-c3ccccn3)c2C)CCC1
InChIInChI=1S/C19H22N2O2/c1-14-15(17-9-3-4-12-20-17)7-5-8-16(14)18(22)21-13-19(23-2)10-6-11-19/h3-5,7-9,12H,6,10-11,13H2,1-2H3,(H,21,22)
InChIKeyAWHCCBQITPCDDF-UHFFFAOYSA-N
XLogP3.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-2-methyl-3-pyridin-2-ylbenzamide?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-2-methyl-3-pyridin-2-ylbenzamide (CID 136521765) is N-[(1-methoxycyclobutyl)methyl]-2-methyl-3-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-2-methyl-3-pyridin-2-ylbenzamide?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-2-methyl-3-pyridin-2-ylbenzamide is COC1(CNC(=O)c2cccc(-c3ccccn3)c2C)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-2-methyl-3-pyridin-2-ylbenzamide?
The InChIKey is AWHCCBQITPCDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-15(17-9-3-4-12-20-17)7-5-8-16(14)18(22)21-13-19(23-2)10-6-11-19/h3-5,7-9,12H,6,10-11,13H2,1-2H3,(H,21,22).
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-2-methyl-3-pyridin-2-ylbenzamide?
N-[(1-methoxycyclobutyl)methyl]-2-methyl-3-pyridin-2-ylbenzamide has a molecular weight of 310.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-2-methyl-3-pyridin-2-ylbenzamide is sourced from PubChem (CID 136521765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).