2-acetamido-N-[1-[4-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide

C20H23F2N3O3 — CID 87426909

IUPAC2-acetamido-N-[1-[4-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NC(C)c2ccc(OCC(F)F)cc2C)cc(C)n1
InChIInChI=1S/C20H23F2N3O3/c1-11-7-16(28-10-18(21)22)5-6-17(11)13(3)24-20(27)15-8-12(2)23-19(9-15)25-14(4)26/h5-9,13,18H,10H2,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyDBVUIXOULFYEHH-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.79
Rot. Bonds7

About 2-acetamido-N-[1-[4-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide

2-acetamido-N-[1-[4-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide (PubChem CID 87426909) has the molecular formula C20H23F2N3O3 and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-acetamido-N-[1-[4-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[1-[4-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide
PubChem CID87426909
Molecular FormulaC20H23F2N3O3
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Name2-acetamido-N-[1-[4-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NC(C)c2ccc(OCC(F)F)cc2C)cc(C)n1
InChIInChI=1S/C20H23F2N3O3/c1-11-7-16(28-10-18(21)22)5-6-17(11)13(3)24-20(27)15-8-12(2)23-19(9-15)25-14(4)26/h5-9,13,18H,10H2,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyDBVUIXOULFYEHH-UHFFFAOYSA-N
XLogP3.79
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-acetamido-N-[1-[4-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide 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 2-acetamido-N-[1-[4-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-acetamido-N-[1-[4-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide (CID 87426909) is 2-acetamido-N-[1-[4-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[1-[4-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[1-[4-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)NC(C)c2ccc(OCC(F)F)cc2C)cc(C)n1.
What is the InChIKey of 2-acetamido-N-[1-[4-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide?
The InChIKey is DBVUIXOULFYEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3/c1-11-7-16(28-10-18(21)22)5-6-17(11)13(3)24-20(27)15-8-12(2)23-19(9-15)25-14(4)26/h5-9,13,18H,10H2,1-4H3,(H,24,27)(H,23,25,26).
What are the key properties of 2-acetamido-N-[1-[4-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide?
2-acetamido-N-[1-[4-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-[4-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 87426909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).