1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(4-methyl-4-azaspiro[2.5]octan-7-yl)amino]-6-oxopyridine-3-carboxamide;ethane

C28H35F5N4O2 — CID 169127079

IUPAC1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(4-methyl-4-azaspiro[2.5]octan-7-yl)amino]-6-oxopyridine-3-carboxamide;ethane
SMILESCC.CN1CCC(Nc2cc(=O)n(C3(C(F)F)CC3)cc2C(=O)NCc2cccc(C(F)F)c2F)CC12CC2
InChIInChI=1S/C26H29F5N4O2.C2H6/c1-34-10-5-16(12-25(34)6-7-25)33-19-11-20(36)35(26(8-9-26)24(30)31)14-18(19)23(37)32-13-15-3-2-4-17(21(15)27)22(28)29;1-2/h2-4,11,14,16,22,24,33H,5-10,12-13H2,1H3,(H,32,37);1-2H3
InChIKeyPZHBKUZZSBAAFJ-UHFFFAOYSA-N
MW554.60 g/mol
LogP5.67
Rot. Bonds8

About 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(4-methyl-4-azaspiro[2.5]octan-7-yl)amino]-6-oxopyridine-3-carboxamide;ethane

1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(4-methyl-4-azaspiro[2.5]octan-7-yl)amino]-6-oxopyridine-3-carboxamide;ethane (PubChem CID 169127079) has the molecular formula C28H35F5N4O2 and a molecular weight of 554.60 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(4-methyl-4-azaspiro[2.5]octan-7-yl)amino]-6-oxopyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(4-methyl-4-azaspiro[2.5]octan-7-yl)amino]-6-oxopyridine-3-carboxamide;ethane
PubChem CID169127079
Molecular FormulaC28H35F5N4O2
Molecular Weight554.60 g/mol
Exact Mass554.27
IUPAC Name1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(4-methyl-4-azaspiro[2.5]octan-7-yl)amino]-6-oxopyridine-3-carboxamide;ethane
SMILESCC.CN1CCC(Nc2cc(=O)n(C3(C(F)F)CC3)cc2C(=O)NCc2cccc(C(F)F)c2F)CC12CC2
InChIInChI=1S/C26H29F5N4O2.C2H6/c1-34-10-5-16(12-25(34)6-7-25)33-19-11-20(36)35(26(8-9-26)24(30)31)14-18(19)23(37)32-13-15-3-2-4-17(21(15)27)22(28)29;1-2/h2-4,11,14,16,22,24,33H,5-10,12-13H2,1H3,(H,32,37);1-2H3
InChIKeyPZHBKUZZSBAAFJ-UHFFFAOYSA-N
XLogP5.67
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.60
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(4-methyl-4-azaspiro[2.5]octan-7-yl)amino]-6-oxopyridine-3-carboxamide;ethane with MolForge

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Related Compounds

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
US20230348424, Example 78
CID 169126969
1-(3,5-Bis(trifluoromethyl)benzyl)-N-(2-(dimethylamino)ethyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 3780154
1-(3,5-Bis(trifluoromethyl)benzyl)-N-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 3829837
US20230348424, Example 248
CID 169126682
US20230348424, Example 131
CID 169126687
US20230348424, Example 89
CID 169126691
US20230348424, Example 308
CID 169126692
US20230348424, Example 73
CID 169126693

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(4-methyl-4-azaspiro[2.5]octan-7-yl)amino]-6-oxopyridine-3-carboxamide;ethane?
The IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(4-methyl-4-azaspiro[2.5]octan-7-yl)amino]-6-oxopyridine-3-carboxamide;ethane (CID 169127079) is 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(4-methyl-4-azaspiro[2.5]octan-7-yl)amino]-6-oxopyridine-3-carboxamide;ethane.
What is the SMILES notation for 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(4-methyl-4-azaspiro[2.5]octan-7-yl)amino]-6-oxopyridine-3-carboxamide;ethane?
The canonical SMILES for 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(4-methyl-4-azaspiro[2.5]octan-7-yl)amino]-6-oxopyridine-3-carboxamide;ethane is CC.CN1CCC(Nc2cc(=O)n(C3(C(F)F)CC3)cc2C(=O)NCc2cccc(C(F)F)c2F)CC12CC2.
What is the InChIKey of 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(4-methyl-4-azaspiro[2.5]octan-7-yl)amino]-6-oxopyridine-3-carboxamide;ethane?
The InChIKey is PZHBKUZZSBAAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F5N4O2.C2H6/c1-34-10-5-16(12-25(34)6-7-25)33-19-11-20(36)35(26(8-9-26)24(30)31)14-18(19)23(37)32-13-15-3-2-4-17(21(15)27)22(28)29;1-2/h2-4,11,14,16,22,24,33H,5-10,12-13H2,1H3,(H,32,37);1-2H3.
What are the key properties of 1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(4-methyl-4-azaspiro[2.5]octan-7-yl)amino]-6-oxopyridine-3-carboxamide;ethane?
1-[1-(difluoromethyl)cyclopropyl]-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(4-methyl-4-azaspiro[2.5]octan-7-yl)amino]-6-oxopyridine-3-carboxamide;ethane has a molecular weight of 554.60 g/mol, XLogP of 5.67, 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-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-4-[(4-methyl-4-azaspiro[2.5]octan-7-yl)amino]-6-oxopyridine-3-carboxamide;ethane is sourced from PubChem (CID 169127079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).