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

C24H26F6N4O2 — CID 169126833

IUPAC1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3R,4S)-3-fluoropiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cn(C2(C(F)F)CC2)c(=O)cc1N[C@H]1CCNC[C@H]1F)c1cccc(C(F)F)c1F
InChIInChI=1S/C24H26F6N4O2/c1-12(13-3-2-4-14(20(13)26)21(27)28)32-22(36)15-11-34(24(6-7-24)23(29)30)19(35)9-18(15)33-17-5-8-31-10-16(17)25/h2-4,9,11-12,16-17,21,23,31,33H,5-8,10H2,1H3,(H,32,36)/t12-,16-,17+/m1/s1
InChIKeyAMJPASDPTHFZEA-JLZZUVOBSA-N
MW516.49 g/mol
LogP4.28
Rot. Bonds8

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

1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3R,4S)-3-fluoropiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide (PubChem CID 169126833) has the molecular formula C24H26F6N4O2 and a molecular weight of 516.49 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3R,4S)-3-fluoropiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3R,4S)-3-fluoropiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide
PubChem CID169126833
Molecular FormulaC24H26F6N4O2
Molecular Weight516.49 g/mol
Exact Mass516.20
IUPAC Name1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3R,4S)-3-fluoropiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cn(C2(C(F)F)CC2)c(=O)cc1N[C@H]1CCNC[C@H]1F)c1cccc(C(F)F)c1F
InChIInChI=1S/C24H26F6N4O2/c1-12(13-3-2-4-14(20(13)26)21(27)28)32-22(36)15-11-34(24(6-7-24)23(29)30)19(35)9-18(15)33-17-5-8-31-10-16(17)25/h2-4,9,11-12,16-17,21,23,31,33H,5-8,10H2,1H3,(H,32,36)/t12-,16-,17+/m1/s1
InChIKeyAMJPASDPTHFZEA-JLZZUVOBSA-N
XLogP4.28
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.49
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3S)-4-fluoro-1-azabicyclo[2.2.2]octan-3-yl]amino]-6-oxopyridine-3-carboxamide
CID 169321731
4-[[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]amino]-1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide
CID 169321523
1-[1-(difluoromethyl)cyclobutyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-6-oxopyridine-3-carboxamide
CID 169126687
1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide
CID 169321517
4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]-N-[(1R)-1-[2-fluoro-3-(1-phosphanylethyl)phenyl]ethyl]-1-[1-[fluoro(phosphanyl)methyl]cyclopropyl]-6-oxopyridine-3-carboxamide
CID 170361647
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[1-(fluoromethyl)cyclopropyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.2.1]octan-8-yl]amino]-6-oxopyridine-3-carboxamide
CID 169321663
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-(3-methylazetidin-3-yl)-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide;hydrochloride
CID 169321566
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.2.1]octan-8-yl]amino]-6-oxopyridine-3-carboxamide
CID 169126705
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-1-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-oxopyridine-3-carboxamide
CID 169321729
1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.1]heptan-6-yl]amino]-6-oxopyridine-3-carboxamide
CID 169126731
1-(3,3-difluoro-1-methylcyclobutyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide
CID 169321654
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[(3S)-3-methyloxolan-3-yl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide
CID 169127016

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3R,4S)-3-fluoropiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3R,4S)-3-fluoropiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide (CID 169126833) is 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3R,4S)-3-fluoropiperidin-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-[[(3R,4S)-3-fluoropiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3R,4S)-3-fluoropiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide is C[C@@H](NC(=O)c1cn(C2(C(F)F)CC2)c(=O)cc1N[C@H]1CCNC[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-[[(3R,4S)-3-fluoropiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide?
The InChIKey is AMJPASDPTHFZEA-JLZZUVOBSA-N. The full InChI is InChI=1S/C24H26F6N4O2/c1-12(13-3-2-4-14(20(13)26)21(27)28)32-22(36)15-11-34(24(6-7-24)23(29)30)19(35)9-18(15)33-17-5-8-31-10-16(17)25/h2-4,9,11-12,16-17,21,23,31,33H,5-8,10H2,1H3,(H,32,36)/t12-,16-,17+/m1/s1.
What are the key properties of 1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3R,4S)-3-fluoropiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide?
1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(3R,4S)-3-fluoropiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide has a molecular weight of 516.49 g/mol, XLogP of 4.28, 8 rotatable bonds, 3 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-[[(3R,4S)-3-fluoropiperidin-4-yl]amino]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 169126833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).