carbanide;4-(4-ethoxyphenyl)-2-methyl-6-(3,3,3-trifluoropropylsulfanyl)pyridine-3,5-dicarbonitrile;uranium(2+)

C20H18F3N3OSU — CID 169151932

IUPACcarbanide;4-(4-ethoxyphenyl)-2-methyl-6-(3,3,3-trifluoropropylsulfanyl)pyridine-3,5-dicarbonitrile;uranium(2+)
SMILES[CH2-]COc1ccc(-c2c(C#N)c(C)nc(SCCC(F)(F)F)c2C#N)cc1.[CH3-].[U+2]
InChIInChI=1S/C19H15F3N3OS.CH3.U/c1-3-26-14-6-4-13(5-7-14)17-15(10-23)12(2)25-18(16(17)11-24)27-9-8-19(20,21)22;;/h4-7H,1,3,8-9H2,2H3;1H3;/q2*-1;+2
InChIKeyLCLOTEWVGQBCOV-UHFFFAOYSA-N
MW643.47 g/mol
LogP5.51
Rot. Bonds6

About carbanide;4-(4-ethoxyphenyl)-2-methyl-6-(3,3,3-trifluoropropylsulfanyl)pyridine-3,5-dicarbonitrile;uranium(2+)

carbanide;4-(4-ethoxyphenyl)-2-methyl-6-(3,3,3-trifluoropropylsulfanyl)pyridine-3,5-dicarbonitrile;uranium(2+) (PubChem CID 169151932) has the molecular formula C20H18F3N3OSU and a molecular weight of 643.47 g/mol. Its IUPAC name is carbanide;4-(4-ethoxyphenyl)-2-methyl-6-(3,3,3-trifluoropropylsulfanyl)pyridine-3,5-dicarbonitrile;uranium(2+).

Molecular Properties

Compound Namecarbanide;4-(4-ethoxyphenyl)-2-methyl-6-(3,3,3-trifluoropropylsulfanyl)pyridine-3,5-dicarbonitrile;uranium(2+)
PubChem CID169151932
Molecular FormulaC20H18F3N3OSU
Molecular Weight643.47 g/mol
Exact Mass643.16
IUPAC Namecarbanide;4-(4-ethoxyphenyl)-2-methyl-6-(3,3,3-trifluoropropylsulfanyl)pyridine-3,5-dicarbonitrile;uranium(2+)
SMILES[CH2-]COc1ccc(-c2c(C#N)c(C)nc(SCCC(F)(F)F)c2C#N)cc1.[CH3-].[U+2]
InChIInChI=1S/C19H15F3N3OS.CH3.U/c1-3-26-14-6-4-13(5-7-14)17-15(10-23)12(2)25-18(16(17)11-24)27-9-8-19(20,21)22;;/h4-7H,1,3,8-9H2,2H3;1H3;/q2*-1;+2
InChIKeyLCLOTEWVGQBCOV-UHFFFAOYSA-N
XLogP5.51
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.47
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

ethane;4-[5-(2-methoxyethoxy)-2-pyridinyl]-2-methyl-6-(3,3,3-trifluoropropylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176709805
2-(2-cyanoethylsulfanyl)-4-[4-(2-methoxyethoxy)phenyl]-6-(methylamino)pyridine-3,5-dicarbonitrile
CID 176710025
2-amino-4-[4-(2-methoxyethoxy)phenyl]-6-(2-methoxyethylsulfanyl)pyridine-3,5-dicarbonitrile;ethane
CID 169151765
2-amino-6-(2-cyanoethylsulfanyl)-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 169151815
2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 11255849
2,4-dimethyl-6-[2-(4-propoxyphenoxy)ethylsulfanyl]pyrimidine-5-carbonitrile
CID 55531425
5-acetyl-4-(4-methoxyphenyl)-6-methyl-2-(2-oxopropylsulfanyl)pyridine-3-carbonitrile
CID 10831981
2-amino-6-ethylsulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 12826099
2-[[6-amino-3,5-dicyano-4-[4-(2-methylpropoxy)phenyl]-2-pyridinyl]sulfanyl]acetamide
CID 143294251
ethyl 2-[[6-amino-3,5-dicyano-4-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]acetate
CID 659270
6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
CID 45032130
2-amino-4-(4-ethoxyphenyl)-6-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3,5-dicarbonitrile
CID 2213614

Frequently Asked Questions

What is the IUPAC name of carbanide;4-(4-ethoxyphenyl)-2-methyl-6-(3,3,3-trifluoropropylsulfanyl)pyridine-3,5-dicarbonitrile;uranium(2+)?
The IUPAC name of carbanide;4-(4-ethoxyphenyl)-2-methyl-6-(3,3,3-trifluoropropylsulfanyl)pyridine-3,5-dicarbonitrile;uranium(2+) (CID 169151932) is carbanide;4-(4-ethoxyphenyl)-2-methyl-6-(3,3,3-trifluoropropylsulfanyl)pyridine-3,5-dicarbonitrile;uranium(2+).
What is the SMILES notation for carbanide;4-(4-ethoxyphenyl)-2-methyl-6-(3,3,3-trifluoropropylsulfanyl)pyridine-3,5-dicarbonitrile;uranium(2+)?
The canonical SMILES for carbanide;4-(4-ethoxyphenyl)-2-methyl-6-(3,3,3-trifluoropropylsulfanyl)pyridine-3,5-dicarbonitrile;uranium(2+) is [CH2-]COc1ccc(-c2c(C#N)c(C)nc(SCCC(F)(F)F)c2C#N)cc1.[CH3-].[U+2].
What is the InChIKey of carbanide;4-(4-ethoxyphenyl)-2-methyl-6-(3,3,3-trifluoropropylsulfanyl)pyridine-3,5-dicarbonitrile;uranium(2+)?
The InChIKey is LCLOTEWVGQBCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N3OS.CH3.U/c1-3-26-14-6-4-13(5-7-14)17-15(10-23)12(2)25-18(16(17)11-24)27-9-8-19(20,21)22;;/h4-7H,1,3,8-9H2,2H3;1H3;/q2*-1;+2.
What are the key properties of carbanide;4-(4-ethoxyphenyl)-2-methyl-6-(3,3,3-trifluoropropylsulfanyl)pyridine-3,5-dicarbonitrile;uranium(2+)?
carbanide;4-(4-ethoxyphenyl)-2-methyl-6-(3,3,3-trifluoropropylsulfanyl)pyridine-3,5-dicarbonitrile;uranium(2+) has a molecular weight of 643.47 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-(4-ethoxyphenyl)-2-methyl-6-(3,3,3-trifluoropropylsulfanyl)pyridine-3,5-dicarbonitrile;uranium(2+) is sourced from PubChem (CID 169151932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).