2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile

C20H19F2N3O2 — CID 143639015

IUPAC2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Oc1ccc(CCC(=O)N2CCC(F)(F)CC2)cc1
InChIInChI=1S/C20H19F2N3O2/c21-20(22)9-12-25(13-10-20)18(26)8-5-15-3-6-17(7-4-15)27-19-16(14-23)2-1-11-24-19/h1-4,6-7,11H,5,8-10,12-13H2
InChIKeyMAADUFUTRVLJNT-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.94
Rot. Bonds5

About 2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile

2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile (PubChem CID 143639015) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile
PubChem CID143639015
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Oc1ccc(CCC(=O)N2CCC(F)(F)CC2)cc1
InChIInChI=1S/C20H19F2N3O2/c21-20(22)9-12-25(13-10-20)18(26)8-5-15-3-6-17(7-4-15)27-19-16(14-23)2-1-11-24-19/h1-4,6-7,11H,5,8-10,12-13H2
InChIKeyMAADUFUTRVLJNT-UHFFFAOYSA-N
XLogP3.94
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile
CID 106485600
2-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]phenoxy]pyridine-3-carbonitrile
CID 25142839
2-[4-[(2R)-2-amino-3-hydroxypropyl]phenoxy]pyridine-3-carbonitrile
CID 57162620
4-[3-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]benzonitrile
CID 131703347
2-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873514
2-[1-(4-chlorobutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249080
2-[4-[(1S)-1-aminoethyl]phenoxy]pyridine-3-carbonitrile
CID 94830267
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4,4,4-trifluorobutanamide
CID 122142915
4-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid
CID 119251700
3-(4-methoxyphenyl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 90558759
2-(3-acetylphenoxy)pyridine-3-carbonitrile
CID 18194838
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(2-fluorophenyl)propanamide
CID 55764183

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile (CID 143639015) is 2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile is N#Cc1cccnc1Oc1ccc(CCC(=O)N2CCC(F)(F)CC2)cc1.
What is the InChIKey of 2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile?
The InChIKey is MAADUFUTRVLJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c21-20(22)9-12-25(13-10-20)18(26)8-5-15-3-6-17(7-4-15)27-19-16(14-23)2-1-11-24-19/h1-4,6-7,11H,5,8-10,12-13H2.
What are the key properties of 2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile?
2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile has a molecular weight of 371.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 143639015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).