N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chlorobenzamide

C18H21ClN2O2 — CID 71583420

IUPACN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chlorobenzamide
SMILESCCCCn1c(C)c(C)cc(NC(=O)c2ccccc2Cl)c1=O
InChIInChI=1S/C18H21ClN2O2/c1-4-5-10-21-13(3)12(2)11-16(18(21)23)20-17(22)14-8-6-7-9-15(14)19/h6-9,11H,4-5,10H2,1-3H3,(H,20,22)
InChIKeyWERVKMNWUOHVMZ-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.17
Rot. Bonds5

About N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chlorobenzamide

N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chlorobenzamide (PubChem CID 71583420) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chlorobenzamide
PubChem CID71583420
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chlorobenzamide
SMILESCCCCn1c(C)c(C)cc(NC(=O)c2ccccc2Cl)c1=O
InChIInChI=1S/C18H21ClN2O2/c1-4-5-10-21-13(3)12(2)11-16(18(21)23)20-17(22)14-8-6-7-9-15(14)19/h6-9,11H,4-5,10H2,1-3H3,(H,20,22)
InChIKeyWERVKMNWUOHVMZ-UHFFFAOYSA-N
XLogP4.17
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chlorobenzamide?
The IUPAC name of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chlorobenzamide (CID 71583420) is N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chlorobenzamide.
What is the SMILES notation for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chlorobenzamide?
The canonical SMILES for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chlorobenzamide is CCCCn1c(C)c(C)cc(NC(=O)c2ccccc2Cl)c1=O.
What is the InChIKey of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chlorobenzamide?
The InChIKey is WERVKMNWUOHVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-4-5-10-21-13(3)12(2)11-16(18(21)23)20-17(22)14-8-6-7-9-15(14)19/h6-9,11H,4-5,10H2,1-3H3,(H,20,22).
What are the key properties of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chlorobenzamide?
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chlorobenzamide has a molecular weight of 332.83 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chlorobenzamide is sourced from PubChem (CID 71583420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).