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

C18H22N2O2 — CID 71583311

IUPACN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzamide
SMILESCCCCn1c(C)c(C)cc(NC(=O)c2ccccc2)c1=O
InChIInChI=1S/C18H22N2O2/c1-4-5-11-20-14(3)13(2)12-16(18(20)22)19-17(21)15-9-7-6-8-10-15/h6-10,12H,4-5,11H2,1-3H3,(H,19,21)
InChIKeyHCQDNHCJTNBENO-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.52
Rot. Bonds5

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

N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzamide (PubChem CID 71583311) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzamide
PubChem CID71583311
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzamide
SMILESCCCCn1c(C)c(C)cc(NC(=O)c2ccccc2)c1=O
InChIInChI=1S/C18H22N2O2/c1-4-5-11-20-14(3)13(2)12-16(18(20)22)19-17(21)15-9-7-6-8-10-15/h6-10,12H,4-5,11H2,1-3H3,(H,19,21)
InChIKeyHCQDNHCJTNBENO-UHFFFAOYSA-N
XLogP3.52
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.52
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)benzamide?
The IUPAC name of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzamide (CID 71583311) is N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzamide.
What is the SMILES notation for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzamide?
The canonical SMILES for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzamide is CCCCn1c(C)c(C)cc(NC(=O)c2ccccc2)c1=O.
What is the InChIKey of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzamide?
The InChIKey is HCQDNHCJTNBENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-5-11-20-14(3)13(2)12-16(18(20)22)19-17(21)15-9-7-6-8-10-15/h6-10,12H,4-5,11H2,1-3H3,(H,19,21).
What are the key properties of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzamide?
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzamide has a molecular weight of 298.39 g/mol, XLogP of 3.52, 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)benzamide is sourced from PubChem (CID 71583311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).