5-methyl-2-phenylmethoxy-N-pyridin-3-ylbenzamide

C20H18N2O2 — CID 67107177

IUPAC5-methyl-2-phenylmethoxy-N-pyridin-3-ylbenzamide
SMILESCc1ccc(OCc2ccccc2)c(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C20H18N2O2/c1-15-9-10-19(24-14-16-6-3-2-4-7-16)18(12-15)20(23)22-17-8-5-11-21-13-17/h2-13H,14H2,1H3,(H,22,23)
InChIKeyXNMNYWJQAAXJTI-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.22
Rot. Bonds5

About 5-methyl-2-phenylmethoxy-N-pyridin-3-ylbenzamide

5-methyl-2-phenylmethoxy-N-pyridin-3-ylbenzamide (PubChem CID 67107177) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-methyl-2-phenylmethoxy-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-methyl-2-phenylmethoxy-N-pyridin-3-ylbenzamide
PubChem CID67107177
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name5-methyl-2-phenylmethoxy-N-pyridin-3-ylbenzamide
SMILESCc1ccc(OCc2ccccc2)c(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C20H18N2O2/c1-15-9-10-19(24-14-16-6-3-2-4-7-16)18(12-15)20(23)22-17-8-5-11-21-13-17/h2-13H,14H2,1H3,(H,22,23)
InChIKeyXNMNYWJQAAXJTI-UHFFFAOYSA-N
XLogP4.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenylmethoxy-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-methyl-2-phenylmethoxy-N-pyridin-3-ylbenzamide (CID 67107177) is 5-methyl-2-phenylmethoxy-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-methyl-2-phenylmethoxy-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-methyl-2-phenylmethoxy-N-pyridin-3-ylbenzamide is Cc1ccc(OCc2ccccc2)c(C(=O)Nc2cccnc2)c1.
What is the InChIKey of 5-methyl-2-phenylmethoxy-N-pyridin-3-ylbenzamide?
The InChIKey is XNMNYWJQAAXJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-15-9-10-19(24-14-16-6-3-2-4-7-16)18(12-15)20(23)22-17-8-5-11-21-13-17/h2-13H,14H2,1H3,(H,22,23).
What are the key properties of 5-methyl-2-phenylmethoxy-N-pyridin-3-ylbenzamide?
5-methyl-2-phenylmethoxy-N-pyridin-3-ylbenzamide has a molecular weight of 318.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenylmethoxy-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 67107177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).