1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide

C25H28F6N4O2 — CID 169126701

IUPAC1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cn(C2(C(F)F)CC2)c(=O)cc1N[C@@H]1CCN(C)C[C@@H]1F)c1cccc(C(F)F)c1F
InChIInChI=1S/C25H28F6N4O2/c1-13(14-4-3-5-15(21(14)27)22(28)29)32-23(37)16-11-35(25(7-8-25)24(30)31)20(36)10-19(16)33-18-6-9-34(2)12-17(18)26/h3-5,10-11,13,17-18,22,24,33H,6-9,12H2,1-2H3,(H,32,37)/t13-,17+,18-/m1/s1
InChIKeyIUZDRIVOGKPURG-JEBQAFNWSA-N
MW530.51 g/mol
LogP4.62
Rot. Bonds8

About 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide

1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide (PubChem CID 169126701) has the molecular formula C25H28F6N4O2 and a molecular weight of 530.51 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide
PubChem CID169126701
Molecular FormulaC25H28F6N4O2
Molecular Weight530.51 g/mol
Exact Mass530.21
IUPAC Name1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cn(C2(C(F)F)CC2)c(=O)cc1N[C@@H]1CCN(C)C[C@@H]1F)c1cccc(C(F)F)c1F
InChIInChI=1S/C25H28F6N4O2/c1-13(14-4-3-5-15(21(14)27)22(28)29)32-23(37)16-11-35(25(7-8-25)24(30)31)20(36)10-19(16)33-18-6-9-34(2)12-17(18)26/h3-5,10-11,13,17-18,22,24,33H,6-9,12H2,1-2H3,(H,32,37)/t13-,17+,18-/m1/s1
InChIKeyIUZDRIVOGKPURG-JEBQAFNWSA-N
XLogP4.62
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.51
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide with MolForge

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Related Compounds

1-Benzyl-N5-cyclopropyl-N3-methyl-2-oxo-1,2-dihydropyridine-3,5-dicarboxamide
CID 126648559
5-N-cyclopropyl-3-N-methyl-2-oxo-1-[(1R)-1-phenylethyl]pyridine-3,5-dicarboxamide
CID 126676281
N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-2-oxo-1-(1-phenylethyl)-1,2-dihydropyridine-4-carboxamide
CID 71571201
5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648589
5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648792
5-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648895
5-N-cyclopropyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 126676006
5-N-cyclopropyl-3-N-methyl-1-[[3-(2-morpholin-4-ylethyl)phenyl]methyl]-2-oxopyridine-3,5-dicarboxamide
CID 139538108
US20230348424, Example 78
CID 169126969
N-methyl-2-oxo-1-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide
CID 1478472
N-[2-(dimethylamino)ethyl]-2-oxo-1-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide
CID 1478479
1-(3,5-Bis(trifluoromethyl)benzyl)-N-(2-(dimethylamino)ethyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 3780154

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide (CID 169126701) is 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide is C[C@@H](NC(=O)c1cn(C2(C(F)F)CC2)c(=O)cc1N[C@@H]1CCN(C)C[C@@H]1F)c1cccc(C(F)F)c1F.
What is the InChIKey of 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide?
The InChIKey is IUZDRIVOGKPURG-JEBQAFNWSA-N. The full InChI is InChI=1S/C25H28F6N4O2/c1-13(14-4-3-5-15(21(14)27)22(28)29)32-23(37)16-11-35(25(7-8-25)24(30)31)20(36)10-19(16)33-18-6-9-34(2)12-17(18)26/h3-5,10-11,13,17-18,22,24,33H,6-9,12H2,1-2H3,(H,32,37)/t13-,17+,18-/m1/s1.
What are the key properties of 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide?
1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide has a molecular weight of 530.51 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 169126701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).