2-acetyl-5,6-dimethyl-N-phenylpyridine-3-carboxamide;ethane

C18H22N2O2 — CID 90979788

IUPAC2-acetyl-5,6-dimethyl-N-phenylpyridine-3-carboxamide;ethane
SMILESCC.CC(=O)c1nc(C)c(C)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C16H16N2O2.C2H6/c1-10-9-14(15(12(3)19)17-11(10)2)16(20)18-13-7-5-4-6-8-13;1-2/h4-9H,1-3H3,(H,18,20);1-2H3
InChIKeyIHGXOFNURAZUJG-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.18
Rot. Bonds3

About 2-acetyl-5,6-dimethyl-N-phenylpyridine-3-carboxamide;ethane

2-acetyl-5,6-dimethyl-N-phenylpyridine-3-carboxamide;ethane (PubChem CID 90979788) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-acetyl-5,6-dimethyl-N-phenylpyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name2-acetyl-5,6-dimethyl-N-phenylpyridine-3-carboxamide;ethane
PubChem CID90979788
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-acetyl-5,6-dimethyl-N-phenylpyridine-3-carboxamide;ethane
SMILESCC.CC(=O)c1nc(C)c(C)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C16H16N2O2.C2H6/c1-10-9-14(15(12(3)19)17-11(10)2)16(20)18-13-7-5-4-6-8-13;1-2/h4-9H,1-3H3,(H,18,20);1-2H3
InChIKeyIHGXOFNURAZUJG-UHFFFAOYSA-N
XLogP4.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetyl-5,6-dimethyl-N-phenylpyridine-3-carboxamide
CID 22890226
2-acetyl-6-isocyano-5-methyl-N-phenylpyridine-3-carboxamide
CID 22890242
3-methyl-N-phenylnaphthalene-2-carboxamide
CID 90742280
2,5-dimethyl-N-phenylpyridine-3-carboxamide
CID 160655593
4-acetyl-N-phenylnaphthalene-1-carboxamide
CID 70204412
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
N'-(4-acetyl-3-methylphenyl)-N-phenyloxamide
CID 99702239
5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 144544324
6-amino-1,3-dimethyl-N-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 39096980
N-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide
CID 100753620
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-(6-azaspiro[2.5]octan-6-yl)-5,6-dimethyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide;ethane
CID 176693975

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-5,6-dimethyl-N-phenylpyridine-3-carboxamide;ethane?
The IUPAC name of 2-acetyl-5,6-dimethyl-N-phenylpyridine-3-carboxamide;ethane (CID 90979788) is 2-acetyl-5,6-dimethyl-N-phenylpyridine-3-carboxamide;ethane.
What is the SMILES notation for 2-acetyl-5,6-dimethyl-N-phenylpyridine-3-carboxamide;ethane?
The canonical SMILES for 2-acetyl-5,6-dimethyl-N-phenylpyridine-3-carboxamide;ethane is CC.CC(=O)c1nc(C)c(C)cc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-acetyl-5,6-dimethyl-N-phenylpyridine-3-carboxamide;ethane?
The InChIKey is IHGXOFNURAZUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2.C2H6/c1-10-9-14(15(12(3)19)17-11(10)2)16(20)18-13-7-5-4-6-8-13;1-2/h4-9H,1-3H3,(H,18,20);1-2H3.
What are the key properties of 2-acetyl-5,6-dimethyl-N-phenylpyridine-3-carboxamide;ethane?
2-acetyl-5,6-dimethyl-N-phenylpyridine-3-carboxamide;ethane has a molecular weight of 298.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-5,6-dimethyl-N-phenylpyridine-3-carboxamide;ethane is sourced from PubChem (CID 90979788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).