6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile

C49H33Cl2N5O2 — CID 161477208

IUPAC6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(Cl)c(C#N)c(-c3ccc(Oc4ccccc4)cc3)n2)cc1.N#Cc1c(Cl)cc(-c2ccc(N)cc2)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H17ClN2O.C24H16ClN3O/c1-17-7-9-18(10-8-17)24-15-23(26)22(16-27)25(28-24)19-11-13-21(14-12-19)29-20-5-3-2-4-6-20;25-22-14-23(16-6-10-18(27)11-7-16)28-24(21(22)15-26)17-8-12-20(13-9-17)29-19-4-2-1-3-5-19/h2-15H,1H3;1-14H,27H2
InChIKeyWDWIJVTXNKCORF-UHFFFAOYSA-N
MW794.74 g/mol
LogP13.36
Rot. Bonds8

About 6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile

6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile (PubChem CID 161477208) has the molecular formula C49H33Cl2N5O2 and a molecular weight of 794.74 g/mol. Its IUPAC name is 6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile
PubChem CID161477208
Molecular FormulaC49H33Cl2N5O2
Molecular Weight794.74 g/mol
Exact Mass793.20
IUPAC Name6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(Cl)c(C#N)c(-c3ccc(Oc4ccccc4)cc3)n2)cc1.N#Cc1c(Cl)cc(-c2ccc(N)cc2)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H17ClN2O.C24H16ClN3O/c1-17-7-9-18(10-8-17)24-15-23(26)22(16-27)25(28-24)19-11-13-21(14-12-19)29-20-5-3-2-4-6-20;25-22-14-23(16-6-10-18(27)11-7-16)28-24(21(22)15-26)17-8-12-20(13-9-17)29-19-4-2-1-3-5-19/h2-15H,1H3;1-14H,27H2
InChIKeyWDWIJVTXNKCORF-UHFFFAOYSA-N
XLogP13.36
TPSA117.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.74
LogP ≤ 513.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;N-[4-[4-chloro-5-cyano-6-(4-phenoxyphenyl)-2-pyridinyl]phenyl]benzamide
CID 157114726
2-chloro-6-(4-methylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;2,6-dichloro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile
CID 157410503
6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile
CID 12575122
2-chloro-6-(4-methylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 162072281
4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile
CID 12575125
2-amino-4-(3-chlorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3825642
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
4-[3-(4-aminophenoxy)phenoxy]aniline;toluene;hydrochloride
CID 70184053
4-(4-tert-butylphenyl)-6-[4-[4-(4-tert-butylphenyl)-5-cyano-6-phenyl-2-pyridinyl]phenyl]-2-phenylpyridine-3-carbonitrile
CID 66676027
4-chloro-6-[[1-(2-oxopropyl)pyrazol-3-yl]amino]-2-(4-phenoxyphenyl)pyridine-3-carbonitrile
CID 67575057

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile (CID 161477208) is 6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile is Cc1ccc(-c2cc(Cl)c(C#N)c(-c3ccc(Oc4ccccc4)cc3)n2)cc1.N#Cc1c(Cl)cc(-c2ccc(N)cc2)nc1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is WDWIJVTXNKCORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN2O.C24H16ClN3O/c1-17-7-9-18(10-8-17)24-15-23(26)22(16-27)25(28-24)19-11-13-21(14-12-19)29-20-5-3-2-4-6-20;25-22-14-23(16-6-10-18(27)11-7-16)28-24(21(22)15-26)17-8-12-20(13-9-17)29-19-4-2-1-3-5-19/h2-15H,1H3;1-14H,27H2.
What are the key properties of 6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile?
6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 794.74 g/mol, XLogP of 13.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 161477208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).