1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-6-oxopyridine-3-carboxamide

C26H28FN5O2 — CID 169126740

IUPAC1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cn(C23CC(C2)C3)c(=O)cc1NC1[C@H]2CN(C)C[C@@H]12)c1cccc(C#N)c1F
InChIInChI=1S/C26H28FN5O2/c1-14(17-5-3-4-16(10-28)23(17)27)29-25(34)20-13-32(26-7-15(8-26)9-26)22(33)6-21(20)30-24-18-11-31(2)12-19(18)24/h3-6,13-15,18-19,24,30H,7-9,11-12H2,1-2H3,(H,29,34)/t14-,15?,18-,19+,24?,26?/m1/s1
InChIKeyPDCIGPQJTAGNFV-QEQMQAPKSA-N
MW461.54 g/mol
LogP2.83
Rot. Bonds6

About 1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-6-oxopyridine-3-carboxamide

1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-6-oxopyridine-3-carboxamide (PubChem CID 169126740) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-6-oxopyridine-3-carboxamide
PubChem CID169126740
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC Name1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cn(C23CC(C2)C3)c(=O)cc1NC1[C@H]2CN(C)C[C@@H]12)c1cccc(C#N)c1F
InChIInChI=1S/C26H28FN5O2/c1-14(17-5-3-4-16(10-28)23(17)27)29-25(34)20-13-32(26-7-15(8-26)9-26)22(33)6-21(20)30-24-18-11-31(2)12-19(18)24/h3-6,13-15,18-19,24,30H,7-9,11-12H2,1-2H3,(H,29,34)/t14-,15?,18-,19+,24?,26?/m1/s1
InChIKeyPDCIGPQJTAGNFV-QEQMQAPKSA-N
XLogP2.83
TPSA90.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-6-oxopyridine-3-carboxamide with MolForge

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Related Compounds

(1S,5R)-6-[[1-(1-bicyclo[1.1.1]pentanyl)-5-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]carbamoyl]-2-oxo-4-pyridinyl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 170311725
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
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-(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
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-1-[(1S,5S)-3-oxabicyclo[3.1.0]hexan-1-yl]-6-oxopyridine-3-carboxamide
CID 169127041
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
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
1-[(1S,3S)-2,2-difluoro-3-methylcyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-6-oxopyridine-3-carboxamide
CID 169321658
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-(6,6-difluorospiro[2.5]octan-2-yl)-4-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-6-oxopyridine-3-carboxamide
CID 169126702
4-[(3-amino-1-bicyclo[1.1.1]pentanyl)amino]-1-(1-bicyclo[1.1.1]pentanyl)-N-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide
CID 170311674
4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino]-1-(1-bicyclo[1.1.1]pentanyl)-6-oxo-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 169126797
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-6-oxopyridine-3-carboxamide (CID 169126740) is 1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-6-oxopyridine-3-carboxamide is C[C@@H](NC(=O)c1cn(C23CC(C2)C3)c(=O)cc1NC1[C@H]2CN(C)C[C@@H]12)c1cccc(C#N)c1F.
What is the InChIKey of 1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-6-oxopyridine-3-carboxamide?
The InChIKey is PDCIGPQJTAGNFV-QEQMQAPKSA-N. The full InChI is InChI=1S/C26H28FN5O2/c1-14(17-5-3-4-16(10-28)23(17)27)29-25(34)20-13-32(26-7-15(8-26)9-26)22(33)6-21(20)30-24-18-11-31(2)12-19(18)24/h3-6,13-15,18-19,24,30H,7-9,11-12H2,1-2H3,(H,29,34)/t14-,15?,18-,19+,24?,26?/m1/s1.
What are the key properties of 1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-6-oxopyridine-3-carboxamide?
1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-6-oxopyridine-3-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-4-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 169126740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).