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

C19H21F2N3O3 — CID 87427077

IUPAC2-acetamido-N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-6-methylpyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ccc(OCC(F)F)cc2C)cc(C)n1
InChIInChI=1S/C19H21F2N3O3/c1-11-6-16(27-10-17(20)21)5-4-14(11)9-22-19(26)15-7-12(2)23-18(8-15)24-13(3)25/h4-8,17H,9-10H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyVAUVKQHPJIJFKW-UHFFFAOYSA-N
MW377.39 g/mol
LogP3.23
Rot. Bonds7

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

2-acetamido-N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-6-methylpyridine-4-carboxamide (PubChem CID 87427077) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is 2-acetamido-N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-6-methylpyridine-4-carboxamide
PubChem CID87427077
Molecular FormulaC19H21F2N3O3
Molecular Weight377.39 g/mol
Exact Mass377.16
IUPAC Name2-acetamido-N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-6-methylpyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ccc(OCC(F)F)cc2C)cc(C)n1
InChIInChI=1S/C19H21F2N3O3/c1-11-6-16(27-10-17(20)21)5-4-14(11)9-22-19(26)15-7-12(2)23-18(8-15)24-13(3)25/h4-8,17H,9-10H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyVAUVKQHPJIJFKW-UHFFFAOYSA-N
XLogP3.23
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-acetamido-N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-6-methylpyridine-4-carboxamide (CID 87427077) is 2-acetamido-N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-6-methylpyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)NCc2ccc(OCC(F)F)cc2C)cc(C)n1.
What is the InChIKey of 2-acetamido-N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-6-methylpyridine-4-carboxamide?
The InChIKey is VAUVKQHPJIJFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c1-11-6-16(27-10-17(20)21)5-4-14(11)9-22-19(26)15-7-12(2)23-18(8-15)24-13(3)25/h4-8,17H,9-10H2,1-3H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-acetamido-N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-6-methylpyridine-4-carboxamide?
2-acetamido-N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-6-methylpyridine-4-carboxamide has a molecular weight of 377.39 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 87427077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).