3-propoxy-N-pyridin-3-ylbenzamide

C15H16N2O2 — CID 2292827

IUPAC3-propoxy-N-pyridin-3-ylbenzamide
SMILESCCCOc1cccc(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C15H16N2O2/c1-2-9-19-14-7-3-5-12(10-14)15(18)17-13-6-4-8-16-11-13/h3-8,10-11H,2,9H2,1H3,(H,17,18)
InChIKeyCKMRFLFXSRXSRM-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.12
Rot. Bonds5

About 3-propoxy-N-pyridin-3-ylbenzamide

3-propoxy-N-pyridin-3-ylbenzamide (PubChem CID 2292827) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-propoxy-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-propoxy-N-pyridin-3-ylbenzamide
PubChem CID2292827
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-propoxy-N-pyridin-3-ylbenzamide
SMILESCCCOc1cccc(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C15H16N2O2/c1-2-9-19-14-7-3-5-12(10-14)15(18)17-13-6-4-8-16-11-13/h3-8,10-11H,2,9H2,1H3,(H,17,18)
InChIKeyCKMRFLFXSRXSRM-UHFFFAOYSA-N
XLogP3.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-propoxy-N-pyridin-3-ylbenzamide (CID 2292827) is 3-propoxy-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-propoxy-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-propoxy-N-pyridin-3-ylbenzamide is CCCOc1cccc(C(=O)Nc2cccnc2)c1.
What is the InChIKey of 3-propoxy-N-pyridin-3-ylbenzamide?
The InChIKey is CKMRFLFXSRXSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-9-19-14-7-3-5-12(10-14)15(18)17-13-6-4-8-16-11-13/h3-8,10-11H,2,9H2,1H3,(H,17,18).
What are the key properties of 3-propoxy-N-pyridin-3-ylbenzamide?
3-propoxy-N-pyridin-3-ylbenzamide has a molecular weight of 256.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 2292827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).