4-pentyl-N-pyridin-3-ylbenzamide

C17H20N2O — CID 2796370

IUPAC4-pentyl-N-pyridin-3-ylbenzamide
SMILESCCCCCc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C17H20N2O/c1-2-3-4-6-14-8-10-15(11-9-14)17(20)19-16-7-5-12-18-13-16/h5,7-13H,2-4,6H2,1H3,(H,19,20)
InChIKeyDZLXEBWNAFQZQI-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.07
Rot. Bonds6

About 4-pentyl-N-pyridin-3-ylbenzamide

4-pentyl-N-pyridin-3-ylbenzamide (PubChem CID 2796370) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-pentyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-pentyl-N-pyridin-3-ylbenzamide
PubChem CID2796370
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-pentyl-N-pyridin-3-ylbenzamide
SMILESCCCCCc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C17H20N2O/c1-2-3-4-6-14-8-10-15(11-9-14)17(20)19-16-7-5-12-18-13-16/h5,7-13H,2-4,6H2,1H3,(H,19,20)
InChIKeyDZLXEBWNAFQZQI-UHFFFAOYSA-N
XLogP4.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pentyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-pentyl-N-pyridin-3-ylbenzamide (CID 2796370) is 4-pentyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-pentyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-pentyl-N-pyridin-3-ylbenzamide is CCCCCc1ccc(C(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-pentyl-N-pyridin-3-ylbenzamide?
The InChIKey is DZLXEBWNAFQZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-3-4-6-14-8-10-15(11-9-14)17(20)19-16-7-5-12-18-13-16/h5,7-13H,2-4,6H2,1H3,(H,19,20).
What are the key properties of 4-pentyl-N-pyridin-3-ylbenzamide?
4-pentyl-N-pyridin-3-ylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 2796370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).