N-(4,6-dimethyl-2-pyridinyl)-N-ethyl-4-fluorobenzamide

C16H17FN2O — CID 13440645

IUPACN-(4,6-dimethyl-2-pyridinyl)-N-ethyl-4-fluorobenzamide
SMILESCCN(C(=O)c1ccc(F)cc1)c1cc(C)cc(C)n1
InChIInChI=1S/C16H17FN2O/c1-4-19(15-10-11(2)9-12(3)18-15)16(20)13-5-7-14(17)8-6-13/h5-10H,4H2,1-3H3
InChIKeyZKTVFMCPQIXDMO-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.50
Rot. Bonds3

About N-(4,6-dimethyl-2-pyridinyl)-N-ethyl-4-fluorobenzamide

N-(4,6-dimethyl-2-pyridinyl)-N-ethyl-4-fluorobenzamide (PubChem CID 13440645) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-N-ethyl-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-N-ethyl-4-fluorobenzamide
PubChem CID13440645
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-N-ethyl-4-fluorobenzamide
SMILESCCN(C(=O)c1ccc(F)cc1)c1cc(C)cc(C)n1
InChIInChI=1S/C16H17FN2O/c1-4-19(15-10-11(2)9-12(3)18-15)16(20)13-5-7-14(17)8-6-13/h5-10H,4H2,1-3H3
InChIKeyZKTVFMCPQIXDMO-UHFFFAOYSA-N
XLogP3.50
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4,6-dimethyl-2-pyridinyl)-N-ethyl-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-N-ethyl-4-fluorobenzamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-N-ethyl-4-fluorobenzamide (CID 13440645) is N-(4,6-dimethyl-2-pyridinyl)-N-ethyl-4-fluorobenzamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-N-ethyl-4-fluorobenzamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-N-ethyl-4-fluorobenzamide is CCN(C(=O)c1ccc(F)cc1)c1cc(C)cc(C)n1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-N-ethyl-4-fluorobenzamide?
The InChIKey is ZKTVFMCPQIXDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-4-19(15-10-11(2)9-12(3)18-15)16(20)13-5-7-14(17)8-6-13/h5-10H,4H2,1-3H3.
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-N-ethyl-4-fluorobenzamide?
N-(4,6-dimethyl-2-pyridinyl)-N-ethyl-4-fluorobenzamide has a molecular weight of 272.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-N-ethyl-4-fluorobenzamide is sourced from PubChem (CID 13440645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).