[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-pyridin-3-ylpentan-2-yl]azanide

C14H15F2N4O- — CID 159840332

IUPAC[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-pyridin-3-ylpentan-2-yl]azanide
SMILESN#CC1(NC(=O)[C@@H]([NH-])CC(F)(F)Cc2cccnc2)CC1
InChIInChI=1S/C14H15F2N4O/c15-14(16,6-10-2-1-5-19-8-10)7-11(18)12(21)20-13(9-17)3-4-13/h1-2,5,8,11,18H,3-4,6-7H2,(H,20,21)/q-1/t11-/m0/s1
InChIKeyNOPCJLXHMCXRBN-NSHDSACASA-N
MW293.30 g/mol
LogP2.24
Rot. Bonds6

About [(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-pyridin-3-ylpentan-2-yl]azanide

[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-pyridin-3-ylpentan-2-yl]azanide (PubChem CID 159840332) has the molecular formula C14H15F2N4O- and a molecular weight of 293.30 g/mol. Its IUPAC name is [(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-pyridin-3-ylpentan-2-yl]azanide.

Molecular Properties

Compound Name[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-pyridin-3-ylpentan-2-yl]azanide
PubChem CID159840332
Molecular FormulaC14H15F2N4O-
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-pyridin-3-ylpentan-2-yl]azanide
SMILESN#CC1(NC(=O)[C@@H]([NH-])CC(F)(F)Cc2cccnc2)CC1
InChIInChI=1S/C14H15F2N4O/c15-14(16,6-10-2-1-5-19-8-10)7-11(18)12(21)20-13(9-17)3-4-13/h1-2,5,8,11,18H,3-4,6-7H2,(H,20,21)/q-1/t11-/m0/s1
InChIKeyNOPCJLXHMCXRBN-NSHDSACASA-N
XLogP2.24
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-pyridin-3-ylpentan-2-yl]azanide with MolForge

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Related Compounds

6-azaspiro[2.5]octane-6-carboxylic acid;[(2S)-1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-1-oxo-5-pyridin-3-ylpentan-2-yl]azanide
CID 159193999
N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-pyridin-3-ylhexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 58054658
(2-cyclopropyl-2,7-diazaspiro[3.5]nonan-7-yl) N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]carbamate
CID 91304319
1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile
CID 28702750
1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 78995084
(2S)-N-(1-cyanocyclopropyl)-3-phenyl-2-[[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]amino]propanamide
CID 162650012
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
(7-cyclopropyl-2,7-diazaspiro[3.5]nonan-2-yl) N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-pyridin-2-ylpentan-2-yl]carbamate
CID 91341597
N-(1-cyanocyclopropyl)-3-(pyridin-2-ylmethylsulfanyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide
CID 143204780
1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)urea
CID 108865842
[1-[[3-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]azanide
CID 154451739
(2S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]ethyl]amino]pentanamide
CID 11577510

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-pyridin-3-ylpentan-2-yl]azanide?
The IUPAC name of [(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-pyridin-3-ylpentan-2-yl]azanide (CID 159840332) is [(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-pyridin-3-ylpentan-2-yl]azanide.
What is the SMILES notation for [(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-pyridin-3-ylpentan-2-yl]azanide?
The canonical SMILES for [(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-pyridin-3-ylpentan-2-yl]azanide is N#CC1(NC(=O)[C@@H]([NH-])CC(F)(F)Cc2cccnc2)CC1.
What is the InChIKey of [(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-pyridin-3-ylpentan-2-yl]azanide?
The InChIKey is NOPCJLXHMCXRBN-NSHDSACASA-N. The full InChI is InChI=1S/C14H15F2N4O/c15-14(16,6-10-2-1-5-19-8-10)7-11(18)12(21)20-13(9-17)3-4-13/h1-2,5,8,11,18H,3-4,6-7H2,(H,20,21)/q-1/t11-/m0/s1.
What are the key properties of [(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-pyridin-3-ylpentan-2-yl]azanide?
[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-pyridin-3-ylpentan-2-yl]azanide has a molecular weight of 293.30 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-pyridin-3-ylpentan-2-yl]azanide is sourced from PubChem (CID 159840332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).