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

C18H21FN2O2 — CID 71583419

IUPACN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-fluorobenzamide
SMILESCCCCn1c(C)c(C)cc(NC(=O)c2ccccc2F)c1=O
InChIInChI=1S/C18H21FN2O2/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)
InChIKeyYPTSRSNJTLAXAS-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.66
Rot. Bonds5

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

N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-fluorobenzamide (PubChem CID 71583419) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-fluorobenzamide
PubChem CID71583419
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-fluorobenzamide
SMILESCCCCn1c(C)c(C)cc(NC(=O)c2ccccc2F)c1=O
InChIInChI=1S/C18H21FN2O2/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)
InChIKeyYPTSRSNJTLAXAS-UHFFFAOYSA-N
XLogP3.66
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.66
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-fluorobenzamide?
The IUPAC name of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-fluorobenzamide (CID 71583419) is N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-fluorobenzamide.
What is the SMILES notation for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-fluorobenzamide?
The canonical SMILES for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-fluorobenzamide is CCCCn1c(C)c(C)cc(NC(=O)c2ccccc2F)c1=O.
What is the InChIKey of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-fluorobenzamide?
The InChIKey is YPTSRSNJTLAXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/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-fluorobenzamide?
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-fluorobenzamide has a molecular weight of 316.38 g/mol, XLogP of 3.66, 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-fluorobenzamide is sourced from PubChem (CID 71583419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).