6-(4,4-difluoroazepan-1-yl)-4-methyl-5-N-(3-methylphenyl)pyridine-2,5-dicarboxamide

C21H24F2N4O2 — CID 169124576

IUPAC6-(4,4-difluoroazepan-1-yl)-4-methyl-5-N-(3-methylphenyl)pyridine-2,5-dicarboxamide
SMILESCc1cccc(NC(=O)c2c(C)cc(C(N)=O)nc2N2CCCC(F)(F)CC2)c1
InChIInChI=1S/C21H24F2N4O2/c1-13-5-3-6-15(11-13)25-20(29)17-14(2)12-16(18(24)28)26-19(17)27-9-4-7-21(22,23)8-10-27/h3,5-6,11-12H,4,7-10H2,1-2H3,(H2,24,28)(H,25,29)
InChIKeyUJUUTZDPHTVYNZ-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.68
Rot. Bonds4

About 6-(4,4-difluoroazepan-1-yl)-4-methyl-5-N-(3-methylphenyl)pyridine-2,5-dicarboxamide

6-(4,4-difluoroazepan-1-yl)-4-methyl-5-N-(3-methylphenyl)pyridine-2,5-dicarboxamide (PubChem CID 169124576) has the molecular formula C21H24F2N4O2 and a molecular weight of 402.45 g/mol. Its IUPAC name is 6-(4,4-difluoroazepan-1-yl)-4-methyl-5-N-(3-methylphenyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name6-(4,4-difluoroazepan-1-yl)-4-methyl-5-N-(3-methylphenyl)pyridine-2,5-dicarboxamide
PubChem CID169124576
Molecular FormulaC21H24F2N4O2
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name6-(4,4-difluoroazepan-1-yl)-4-methyl-5-N-(3-methylphenyl)pyridine-2,5-dicarboxamide
SMILESCc1cccc(NC(=O)c2c(C)cc(C(N)=O)nc2N2CCCC(F)(F)CC2)c1
InChIInChI=1S/C21H24F2N4O2/c1-13-5-3-6-15(11-13)25-20(29)17-14(2)12-16(18(24)28)26-19(17)27-9-4-7-21(22,23)8-10-27/h3,5-6,11-12H,4,7-10H2,1-2H3,(H2,24,28)(H,25,29)
InChIKeyUJUUTZDPHTVYNZ-UHFFFAOYSA-N
XLogP3.68
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,4-difluoroazepan-1-yl)-5-methyl-N-(3-methylphenyl)-6-(4-methylphenyl)pyridazine-4-carboxamide
CID 169124316
6-cyano-3-(4,4-difluoroazepan-1-yl)-5-methyl-N-(3-methylphenyl)pyridazine-4-carboxamide
CID 169124651
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)-5-(3,3-difluoroazetidin-1-yl)-4-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 169124720
2-(4,4-difluoroazepan-1-yl)-4-methyl-N-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 169124791
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-(1-ethylpyrazol-4-yl)-4-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 169124775
4-(4,4-difluoroazepan-1-yl)-6-methyl-N-[3-(methylsulfonimidoyl)phenyl]-2-piperazin-1-ylpyrimidine-5-carboxamide
CID 169124695
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)-4-methyl-5-(4-methylphenyl)-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide
CID 169123927
N-(3-carbamoylphenyl)-2-(4,4-difluoroazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 169264411
3-(4,4-difluoroazepan-1-yl)-5-methyl-N,6-diphenylpyridazine-4-carboxamide;methanethiol
CID 169124937

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluoroazepan-1-yl)-4-methyl-5-N-(3-methylphenyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 6-(4,4-difluoroazepan-1-yl)-4-methyl-5-N-(3-methylphenyl)pyridine-2,5-dicarboxamide (CID 169124576) is 6-(4,4-difluoroazepan-1-yl)-4-methyl-5-N-(3-methylphenyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 6-(4,4-difluoroazepan-1-yl)-4-methyl-5-N-(3-methylphenyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 6-(4,4-difluoroazepan-1-yl)-4-methyl-5-N-(3-methylphenyl)pyridine-2,5-dicarboxamide is Cc1cccc(NC(=O)c2c(C)cc(C(N)=O)nc2N2CCCC(F)(F)CC2)c1.
What is the InChIKey of 6-(4,4-difluoroazepan-1-yl)-4-methyl-5-N-(3-methylphenyl)pyridine-2,5-dicarboxamide?
The InChIKey is UJUUTZDPHTVYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O2/c1-13-5-3-6-15(11-13)25-20(29)17-14(2)12-16(18(24)28)26-19(17)27-9-4-7-21(22,23)8-10-27/h3,5-6,11-12H,4,7-10H2,1-2H3,(H2,24,28)(H,25,29).
What are the key properties of 6-(4,4-difluoroazepan-1-yl)-4-methyl-5-N-(3-methylphenyl)pyridine-2,5-dicarboxamide?
6-(4,4-difluoroazepan-1-yl)-4-methyl-5-N-(3-methylphenyl)pyridine-2,5-dicarboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluoroazepan-1-yl)-4-methyl-5-N-(3-methylphenyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 169124576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).