5-[2-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]pyridine-2-carbonitrile

C20H13F2N3O — CID 167579039

IUPAC5-[2-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(CC(=O)c2ccc(Cc3cc(F)cc(F)c3)cn2)cn1
InChIInChI=1S/C20H13F2N3O/c21-16-6-15(7-17(22)9-16)5-13-2-4-19(25-12-13)20(26)8-14-1-3-18(10-23)24-11-14/h1-4,6-7,9,11-12H,5,8H2
InChIKeyGXTGQGACBLBAFW-UHFFFAOYSA-N
MW349.34 g/mol
LogP3.64
Rot. Bonds5

About 5-[2-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]pyridine-2-carbonitrile

5-[2-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]pyridine-2-carbonitrile (PubChem CID 167579039) has the molecular formula C20H13F2N3O and a molecular weight of 349.34 g/mol. Its IUPAC name is 5-[2-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]pyridine-2-carbonitrile
PubChem CID167579039
Molecular FormulaC20H13F2N3O
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC Name5-[2-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(CC(=O)c2ccc(Cc3cc(F)cc(F)c3)cn2)cn1
InChIInChI=1S/C20H13F2N3O/c21-16-6-15(7-17(22)9-16)5-13-2-4-19(25-12-13)20(26)8-14-1-3-18(10-23)24-11-14/h1-4,6-7,9,11-12H,5,8H2
InChIKeyGXTGQGACBLBAFW-UHFFFAOYSA-N
XLogP3.64
TPSA66.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 99789948
5-(2-oxoethyl)pyridine-2-carbonitrile
CID 83872407
2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 79722239
5-[(Z)-2-aminopent-2-enyl]pyridine-2-carbonitrile
CID 154705906
2-(3,5-difluorophenyl)-1-quinolin-2-ylethanone
CID 105405253
2-(3-bromo-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 79723493
5-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-3-hydroxy-2-oxopropyl]pyridine-2-carbonitrile
CID 158344348
1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene
CID 54036374
5-[(3-bromo-5-fluorophenyl)methylamino]pyridine-2-carbonitrile
CID 154840361
5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79840079
5-(4-oxo-4-phenylbutanoyl)pyridine-2-carbonitrile
CID 157476958
(6-cyano-3-pyridinyl)methyl methanesulfonate
CID 46901655

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]pyridine-2-carbonitrile (CID 167579039) is 5-[2-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]pyridine-2-carbonitrile is N#Cc1ccc(CC(=O)c2ccc(Cc3cc(F)cc(F)c3)cn2)cn1.
What is the InChIKey of 5-[2-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]pyridine-2-carbonitrile?
The InChIKey is GXTGQGACBLBAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O/c21-16-6-15(7-17(22)9-16)5-13-2-4-19(25-12-13)20(26)8-14-1-3-18(10-23)24-11-14/h1-4,6-7,9,11-12H,5,8H2.
What are the key properties of 5-[2-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]pyridine-2-carbonitrile?
5-[2-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]pyridine-2-carbonitrile has a molecular weight of 349.34 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 167579039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).