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

C18H19FN6O — CID 44567711

IUPAC6-[(1R,5S)-6-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2C[C@@H]3C(NCC(=O)N4C[C@@H](F)C[C@H]4C#N)[C@@H]3C2)nc1
InChIInChI=1S/C18H19FN6O/c19-12-3-13(5-21)25(8-12)17(26)7-23-18-14-9-24(10-15(14)18)16-2-1-11(4-20)6-22-16/h1-2,6,12-15,18,23H,3,7-10H2/t12-,13-,14-,15+,18?/m0/s1
InChIKeyCHHIZIRVLVBGFB-AYNSEKSSSA-N
MW354.39 g/mol
LogP0.44
Rot. Bonds4

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

6-[(1R,5S)-6-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile (PubChem CID 44567711) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 6-[(1R,5S)-6-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(1R,5S)-6-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile
PubChem CID44567711
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name6-[(1R,5S)-6-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2C[C@@H]3C(NCC(=O)N4C[C@@H](F)C[C@H]4C#N)[C@@H]3C2)nc1
InChIInChI=1S/C18H19FN6O/c19-12-3-13(5-21)25(8-12)17(26)7-23-18-14-9-24(10-15(14)18)16-2-1-11(4-20)6-22-16/h1-2,6,12-15,18,23H,3,7-10H2/t12-,13-,14-,15+,18?/m0/s1
InChIKeyCHHIZIRVLVBGFB-AYNSEKSSSA-N
XLogP0.44
TPSA96.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

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CID 11403745
6-((3S,5S)-5-((S)-2-cyanopyrrolidine-1-carbonyl)pyrrolidin-3-ylamino)nicotinonitrile
CID 44400445
6-(4-((3S,5S)-5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl)piperazin-1-yl)nicotinonitrile
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(2S,5R)-5-ethynyl-1-(N-(4-methyl-1-(5-cyano-pyridin-2-yl)piperidin-4-yl)glycyl)pyrrolidine-2-carbonitrile
CID 16090844
2-[2-(3-Fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 72793650
N-(2-Cyanophenyl)-4-(2-pyridinyl)-1-piperazineacetamide
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1-{2-[4-(5-Trifluoromethyl-pyridin-2-ylamino)-cyclohexylamino]-acetyl}-pyrrolidine-2-carbonitrile
CID 10111288
6-{4-[2-(2-Cyano-pyrrolidin-1-yl)-2-oxo-ethylamino]-cyclohexylamino}-nicotinonitrile
CID 10132708
N-adamantan-2-yl-2-[4-(3-cyano-pyridin-2-yl)-piperazin-1-yl]-acetamide
CID 10452320
1-{2-[2-(Pyridin-2-ylamino)-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile
CID 10912691
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CID 11045633

Frequently Asked Questions

What is the IUPAC name of 6-[(1R,5S)-6-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(1R,5S)-6-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile (CID 44567711) is 6-[(1R,5S)-6-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(1R,5S)-6-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(1R,5S)-6-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-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)N4C[C@@H](F)C[C@H]4C#N)[C@@H]3C2)nc1.
What is the InChIKey of 6-[(1R,5S)-6-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile?
The InChIKey is CHHIZIRVLVBGFB-AYNSEKSSSA-N. The full InChI is InChI=1S/C18H19FN6O/c19-12-3-13(5-21)25(8-12)17(26)7-23-18-14-9-24(10-15(14)18)16-2-1-11(4-20)6-22-16/h1-2,6,12-15,18,23H,3,7-10H2/t12-,13-,14-,15+,18?/m0/s1.
What are the key properties of 6-[(1R,5S)-6-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile?
6-[(1R,5S)-6-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile has a molecular weight of 354.39 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,5S)-6-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 44567711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).