N-(6-butyl-2-oxo-1H-pyridin-3-yl)benzamide

C16H18N2O2 — CID 19012358

IUPACN-(6-butyl-2-oxo-1H-pyridin-3-yl)benzamide
SMILESCCCCc1ccc(NC(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C16H18N2O2/c1-2-3-9-13-10-11-14(16(20)17-13)18-15(19)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyWHFFLULXOPZHHU-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.97
Rot. Bonds5

About N-(6-butyl-2-oxo-1H-pyridin-3-yl)benzamide

N-(6-butyl-2-oxo-1H-pyridin-3-yl)benzamide (PubChem CID 19012358) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(6-butyl-2-oxo-1H-pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-(6-butyl-2-oxo-1H-pyridin-3-yl)benzamide
PubChem CID19012358
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(6-butyl-2-oxo-1H-pyridin-3-yl)benzamide
SMILESCCCCc1ccc(NC(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C16H18N2O2/c1-2-3-9-13-10-11-14(16(20)17-13)18-15(19)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyWHFFLULXOPZHHU-UHFFFAOYSA-N
XLogP2.97
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-butyl-2-oxo-1H-pyridin-3-yl)benzamide?
The IUPAC name of N-(6-butyl-2-oxo-1H-pyridin-3-yl)benzamide (CID 19012358) is N-(6-butyl-2-oxo-1H-pyridin-3-yl)benzamide.
What is the SMILES notation for N-(6-butyl-2-oxo-1H-pyridin-3-yl)benzamide?
The canonical SMILES for N-(6-butyl-2-oxo-1H-pyridin-3-yl)benzamide is CCCCc1ccc(NC(=O)c2ccccc2)c(=O)[nH]1.
What is the InChIKey of N-(6-butyl-2-oxo-1H-pyridin-3-yl)benzamide?
The InChIKey is WHFFLULXOPZHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-3-9-13-10-11-14(16(20)17-13)18-15(19)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(6-butyl-2-oxo-1H-pyridin-3-yl)benzamide?
N-(6-butyl-2-oxo-1H-pyridin-3-yl)benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butyl-2-oxo-1H-pyridin-3-yl)benzamide is sourced from PubChem (CID 19012358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).