4-propoxy-N-(pyridin-3-ylmethyl)benzamide

C16H18N2O2 — CID 648339

IUPAC4-propoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCCCOc1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C16H18N2O2/c1-2-10-20-15-7-5-14(6-8-15)16(19)18-12-13-4-3-9-17-11-13/h3-9,11H,2,10,12H2,1H3,(H,18,19)
InChIKeyRDTGBOGQVFYUDK-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.80
Rot. Bonds6

About 4-propoxy-N-(pyridin-3-ylmethyl)benzamide

4-propoxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 648339) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-propoxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-propoxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID648339
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-propoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCCCOc1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C16H18N2O2/c1-2-10-20-15-7-5-14(6-8-15)16(19)18-12-13-4-3-9-17-11-13/h3-9,11H,2,10,12H2,1H3,(H,18,19)
InChIKeyRDTGBOGQVFYUDK-UHFFFAOYSA-N
XLogP2.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propoxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-propoxy-N-(pyridin-3-ylmethyl)benzamide (CID 648339) is 4-propoxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-propoxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-propoxy-N-(pyridin-3-ylmethyl)benzamide is CCCOc1ccc(C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 4-propoxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is RDTGBOGQVFYUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-10-20-15-7-5-14(6-8-15)16(19)18-12-13-4-3-9-17-11-13/h3-9,11H,2,10,12H2,1H3,(H,18,19).
What are the key properties of 4-propoxy-N-(pyridin-3-ylmethyl)benzamide?
4-propoxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 648339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).