5-cyano-2-(4,4-difluoroazepan-1-yl)-N-(3-ethylphenyl)-4-methylpyridine-3-carboxamide;ethane;molecular hydrogen

C24H32F2N4O — CID 169123770

IUPAC5-cyano-2-(4,4-difluoroazepan-1-yl)-N-(3-ethylphenyl)-4-methylpyridine-3-carboxamide;ethane;molecular hydrogen
SMILESCC.CCc1cccc(NC(=O)c2c(N3CCCC(F)(F)CC3)ncc(C#N)c2C)c1.[H][H]
InChIInChI=1S/C22H24F2N4O.C2H6.H2/c1-3-16-6-4-7-18(12-16)27-21(29)19-15(2)17(13-25)14-26-20(19)28-10-5-8-22(23,24)9-11-28;1-2;/h4,6-7,12,14H,3,5,8-11H2,1-2H3,(H,27,29);1-2H3;1H
InChIKeyJNUYXDCNTCQEQQ-UHFFFAOYSA-N
MW430.54 g/mol
LogP5.97
Rot. Bonds4

About 5-cyano-2-(4,4-difluoroazepan-1-yl)-N-(3-ethylphenyl)-4-methylpyridine-3-carboxamide;ethane;molecular hydrogen

5-cyano-2-(4,4-difluoroazepan-1-yl)-N-(3-ethylphenyl)-4-methylpyridine-3-carboxamide;ethane;molecular hydrogen (PubChem CID 169123770) has the molecular formula C24H32F2N4O and a molecular weight of 430.54 g/mol. Its IUPAC name is 5-cyano-2-(4,4-difluoroazepan-1-yl)-N-(3-ethylphenyl)-4-methylpyridine-3-carboxamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name5-cyano-2-(4,4-difluoroazepan-1-yl)-N-(3-ethylphenyl)-4-methylpyridine-3-carboxamide;ethane;molecular hydrogen
PubChem CID169123770
Molecular FormulaC24H32F2N4O
Molecular Weight430.54 g/mol
Exact Mass430.25
IUPAC Name5-cyano-2-(4,4-difluoroazepan-1-yl)-N-(3-ethylphenyl)-4-methylpyridine-3-carboxamide;ethane;molecular hydrogen
SMILESCC.CCc1cccc(NC(=O)c2c(N3CCCC(F)(F)CC3)ncc(C#N)c2C)c1.[H][H]
InChIInChI=1S/C22H24F2N4O.C2H6.H2/c1-3-16-6-4-7-18(12-16)27-21(29)19-15(2)17(13-25)14-26-20(19)28-10-5-8-22(23,24)9-11-28;1-2;/h4,6-7,12,14H,3,5,8-11H2,1-2H3,(H,27,29);1-2H3;1H
InChIKeyJNUYXDCNTCQEQQ-UHFFFAOYSA-N
XLogP5.97
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.54
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyano-2-(4,4-difluoroazepan-1-yl)-N-(3-ethylphenyl)-4-methylpyridine-3-carboxamide;ethane;molecular hydrogen with MolForge

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

Launch Full Analysis

Related Compounds

4-(4,4-difluoroazepan-1-yl)-N-(3-ethylphenyl)-6-methyl-2-methylsulfinylpyrimidine-5-carboxamide;ethane;molecular hydrogen
CID 176694016
2-(4,4-difluoroazepan-1-yl)-5-(3,3-difluoroazetidin-1-yl)-4-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 169124720
6-cyano-3-(4,4-difluoroazepan-1-yl)-5-methyl-N-(3-methylphenyl)pyridazine-4-carboxamide
CID 169124651
2-(4,4-difluoroazepan-1-yl)-5-(3,4-dihydroxyphenyl)-4-methyl-N-(3-methylphenyl)pyridine-3-carboxamide;ethane;molecular hydrogen
CID 176694721
2-(4,4-difluoroazepan-1-yl)-5-[3-(dimethylamino)prop-1-ynyl]-4-methyl-N-[3-(methylsulfonimidoyl)phenyl]pyridine-3-carboxamide
CID 169125019
2-(4,4-difluoroazepan-1-yl)-5-(1-ethylpyrazol-4-yl)-4-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 169124775
5-chloro-6-cyano-2-(4,4-difluoroazepan-1-yl)-4-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 169123723
2-(4,4-difluoroazepan-1-yl)-4-methyl-5-(4-methylphenyl)-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide
CID 169123927
5-[(Z,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-yl]-2-(4,4-difluoroazepan-1-yl)-4-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide;molecular hydrogen
CID 176694594
2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-[3-(methylsulfonimidoyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 169124186
2-(4,4-difluoroazepan-1-yl)-5-[4-(difluoromethyl)phenyl]-4-methyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide
CID 169124056
2-(4,4-difluoroazepan-1-yl)-5-(3-fluorophenyl)-4-methyl-N-[3-(methylsulfonimidoyl)phenyl]pyridine-3-carboxamide
CID 169124168

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-(4,4-difluoroazepan-1-yl)-N-(3-ethylphenyl)-4-methylpyridine-3-carboxamide;ethane;molecular hydrogen?
The IUPAC name of 5-cyano-2-(4,4-difluoroazepan-1-yl)-N-(3-ethylphenyl)-4-methylpyridine-3-carboxamide;ethane;molecular hydrogen (CID 169123770) is 5-cyano-2-(4,4-difluoroazepan-1-yl)-N-(3-ethylphenyl)-4-methylpyridine-3-carboxamide;ethane;molecular hydrogen.
What is the SMILES notation for 5-cyano-2-(4,4-difluoroazepan-1-yl)-N-(3-ethylphenyl)-4-methylpyridine-3-carboxamide;ethane;molecular hydrogen?
The canonical SMILES for 5-cyano-2-(4,4-difluoroazepan-1-yl)-N-(3-ethylphenyl)-4-methylpyridine-3-carboxamide;ethane;molecular hydrogen is CC.CCc1cccc(NC(=O)c2c(N3CCCC(F)(F)CC3)ncc(C#N)c2C)c1.[H][H].
What is the InChIKey of 5-cyano-2-(4,4-difluoroazepan-1-yl)-N-(3-ethylphenyl)-4-methylpyridine-3-carboxamide;ethane;molecular hydrogen?
The InChIKey is JNUYXDCNTCQEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O.C2H6.H2/c1-3-16-6-4-7-18(12-16)27-21(29)19-15(2)17(13-25)14-26-20(19)28-10-5-8-22(23,24)9-11-28;1-2;/h4,6-7,12,14H,3,5,8-11H2,1-2H3,(H,27,29);1-2H3;1H.
What are the key properties of 5-cyano-2-(4,4-difluoroazepan-1-yl)-N-(3-ethylphenyl)-4-methylpyridine-3-carboxamide;ethane;molecular hydrogen?
5-cyano-2-(4,4-difluoroazepan-1-yl)-N-(3-ethylphenyl)-4-methylpyridine-3-carboxamide;ethane;molecular hydrogen has a molecular weight of 430.54 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-(4,4-difluoroazepan-1-yl)-N-(3-ethylphenyl)-4-methylpyridine-3-carboxamide;ethane;molecular hydrogen is sourced from PubChem (CID 169123770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).