4-propyl-N-pyridin-3-ylbenzamide

C15H16N2O — CID 3312764

IUPAC4-propyl-N-pyridin-3-ylbenzamide
SMILESCCCc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C15H16N2O/c1-2-4-12-6-8-13(9-7-12)15(18)17-14-5-3-10-16-11-14/h3,5-11H,2,4H2,1H3,(H,17,18)
InChIKeyFLPFOYSMOSEVLG-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.29
Rot. Bonds4

About 4-propyl-N-pyridin-3-ylbenzamide

4-propyl-N-pyridin-3-ylbenzamide (PubChem CID 3312764) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-propyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-propyl-N-pyridin-3-ylbenzamide
PubChem CID3312764
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-propyl-N-pyridin-3-ylbenzamide
SMILESCCCc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C15H16N2O/c1-2-4-12-6-8-13(9-7-12)15(18)17-14-5-3-10-16-11-14/h3,5-11H,2,4H2,1H3,(H,17,18)
InChIKeyFLPFOYSMOSEVLG-UHFFFAOYSA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-propyl-N-pyridin-3-ylbenzamide (CID 3312764) is 4-propyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-propyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-propyl-N-pyridin-3-ylbenzamide is CCCc1ccc(C(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-propyl-N-pyridin-3-ylbenzamide?
The InChIKey is FLPFOYSMOSEVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-4-12-6-8-13(9-7-12)15(18)17-14-5-3-10-16-11-14/h3,5-11H,2,4H2,1H3,(H,17,18).
What are the key properties of 4-propyl-N-pyridin-3-ylbenzamide?
4-propyl-N-pyridin-3-ylbenzamide has a molecular weight of 240.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 3312764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).