1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[2-(dimethylamino)ethylamino]-6-oxopyridine-3-carboxamide

C23H27F5N4O2 — CID 169126706

IUPAC1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[2-(dimethylamino)ethylamino]-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cn(C2(C(F)F)CC2)c(=O)cc1NCCN(C)C)c1cccc(C(F)F)c1F
InChIInChI=1S/C23H27F5N4O2/c1-13(14-5-4-6-15(19(14)24)20(25)26)30-21(34)16-12-32(23(7-8-23)22(27)28)18(33)11-17(16)29-9-10-31(2)3/h4-6,11-13,20,22,29H,7-10H2,1-3H3,(H,30,34)/t13-/m1/s1
InChIKeyNBCWMVRXPVBIRH-CYBMUJFWSA-N
MW486.49 g/mol
LogP4.14
Rot. Bonds10

About 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[2-(dimethylamino)ethylamino]-6-oxopyridine-3-carboxamide

1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[2-(dimethylamino)ethylamino]-6-oxopyridine-3-carboxamide (PubChem CID 169126706) has the molecular formula C23H27F5N4O2 and a molecular weight of 486.49 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[2-(dimethylamino)ethylamino]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[2-(dimethylamino)ethylamino]-6-oxopyridine-3-carboxamide
PubChem CID169126706
Molecular FormulaC23H27F5N4O2
Molecular Weight486.49 g/mol
Exact Mass486.21
IUPAC Name1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[2-(dimethylamino)ethylamino]-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cn(C2(C(F)F)CC2)c(=O)cc1NCCN(C)C)c1cccc(C(F)F)c1F
InChIInChI=1S/C23H27F5N4O2/c1-13(14-5-4-6-15(19(14)24)20(25)26)30-21(34)16-12-32(23(7-8-23)22(27)28)18(33)11-17(16)29-9-10-31(2)3/h4-6,11-13,20,22,29H,7-10H2,1-3H3,(H,30,34)/t13-/m1/s1
InChIKeyNBCWMVRXPVBIRH-CYBMUJFWSA-N
XLogP4.14
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
1-[(3-cyanophenyl)methyl]-5-N-cyclopropyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126675335
5-N-cyclopropyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 126676006
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-[2-(dimethylamino)ethylamino]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[2-(dimethylamino)ethylamino]-6-oxopyridine-3-carboxamide (CID 169126706) is 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[2-(dimethylamino)ethylamino]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[2-(dimethylamino)ethylamino]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[2-(dimethylamino)ethylamino]-6-oxopyridine-3-carboxamide is C[C@@H](NC(=O)c1cn(C2(C(F)F)CC2)c(=O)cc1NCCN(C)C)c1cccc(C(F)F)c1F.
What is the InChIKey of 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[2-(dimethylamino)ethylamino]-6-oxopyridine-3-carboxamide?
The InChIKey is NBCWMVRXPVBIRH-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H27F5N4O2/c1-13(14-5-4-6-15(19(14)24)20(25)26)30-21(34)16-12-32(23(7-8-23)22(27)28)18(33)11-17(16)29-9-10-31(2)3/h4-6,11-13,20,22,29H,7-10H2,1-3H3,(H,30,34)/t13-/m1/s1.
What are the key properties of 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[2-(dimethylamino)ethylamino]-6-oxopyridine-3-carboxamide?
1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[2-(dimethylamino)ethylamino]-6-oxopyridine-3-carboxamide has a molecular weight of 486.49 g/mol, XLogP of 4.14, 10 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-[2-(dimethylamino)ethylamino]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 169126706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).