6-[(1S,5R)-6-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile

C18H18F2N6O — CID 44567747

IUPAC6-[(1S,5R)-6-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2C[C@@H]3C(NCC(=O)N4CC(F)(F)C[C@H]4C#N)[C@@H]3C2)nc1
InChIInChI=1S/C18H18F2N6O/c19-18(20)3-12(5-22)26(10-18)16(27)7-24-17-13-8-25(9-14(13)17)15-2-1-11(4-21)6-23-15/h1-2,6,12-14,17,24H,3,7-10H2/t12-,13-,14+,17?/m0/s1
InChIKeyUVFFUNUQBNLABG-NRMMMPIQSA-N
MW372.38 g/mol
LogP0.74
Rot. Bonds4

About 6-[(1S,5R)-6-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile

6-[(1S,5R)-6-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile (PubChem CID 44567747) has the molecular formula C18H18F2N6O and a molecular weight of 372.38 g/mol. Its IUPAC name is 6-[(1S,5R)-6-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(1S,5R)-6-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile
PubChem CID44567747
Molecular FormulaC18H18F2N6O
Molecular Weight372.38 g/mol
Exact Mass372.15
IUPAC Name6-[(1S,5R)-6-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2C[C@@H]3C(NCC(=O)N4CC(F)(F)C[C@H]4C#N)[C@@H]3C2)nc1
InChIInChI=1S/C18H18F2N6O/c19-18(20)3-12(5-22)26(10-18)16(27)7-24-17-13-8-25(9-14(13)17)15-2-1-11(4-21)6-23-15/h1-2,6,12-14,17,24H,3,7-10H2/t12-,13-,14+,17?/m0/s1
InChIKeyUVFFUNUQBNLABG-NRMMMPIQSA-N
XLogP0.74
TPSA96.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(1S,5R)-6-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-[6-[[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile
CID 69122171
1-[2-[(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)amino]acetyl]pyrrolidine-2-carbonitrile
CID 143423556
6-[5-(3,3-difluorocyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
CID 146080045
4-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]benzene-1,4-dicarboxamide
CID 138683758
1-[2-[[3-[4-cyano-2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile
CID 143423562
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-hydroxycyclopropyl)pyridine-4-carboxamide
CID 138683834
2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681902
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[2-(6-methoxy-3-pyridinyl)ethynyl]pyridine-4-carboxamide
CID 151291732
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 138683771
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[[4-(4-cyanophenyl)phenyl]sulfanylmethyl]-1,3-thiazole-4-carboxamide
CID 155754621
(2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
CID 175401707
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-pyridin-3-ylpyridine-4-carboxamide
CID 138683728

Frequently Asked Questions

What is the IUPAC name of 6-[(1S,5R)-6-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(1S,5R)-6-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile (CID 44567747) is 6-[(1S,5R)-6-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(1S,5R)-6-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(1S,5R)-6-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2C[C@@H]3C(NCC(=O)N4CC(F)(F)C[C@H]4C#N)[C@@H]3C2)nc1.
What is the InChIKey of 6-[(1S,5R)-6-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile?
The InChIKey is UVFFUNUQBNLABG-NRMMMPIQSA-N. The full InChI is InChI=1S/C18H18F2N6O/c19-18(20)3-12(5-22)26(10-18)16(27)7-24-17-13-8-25(9-14(13)17)15-2-1-11(4-21)6-23-15/h1-2,6,12-14,17,24H,3,7-10H2/t12-,13-,14+,17?/m0/s1.
What are the key properties of 6-[(1S,5R)-6-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile?
6-[(1S,5R)-6-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile has a molecular weight of 372.38 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,5R)-6-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 44567747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).