6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;N-[4-[4-chloro-5-cyano-6-(4-phenoxyphenyl)-2-pyridinyl]phenyl]benzamide

C55H36Cl2N6O3 — CID 157114726

IUPAC6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;N-[4-[4-chloro-5-cyano-6-(4-phenoxyphenyl)-2-pyridinyl]phenyl]benzamide
SMILESN#Cc1c(Cl)cc(-c2ccc(N)cc2)nc1-c1ccc(Oc2ccccc2)cc1.N#Cc1c(Cl)cc(-c2ccc(NC(=O)c3ccccc3)cc2)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C31H20ClN3O2.C24H16ClN3O/c32-28-19-29(21-11-15-24(16-12-21)34-31(36)23-7-3-1-4-8-23)35-30(27(28)20-33)22-13-17-26(18-14-22)37-25-9-5-2-6-10-25;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/h1-19H,(H,34,36);1-14H,27H2
InChIKeyAHGJRUZYLSIQDN-UHFFFAOYSA-N
MW899.84 g/mol
LogP14.30
Rot. Bonds10

About 6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;N-[4-[4-chloro-5-cyano-6-(4-phenoxyphenyl)-2-pyridinyl]phenyl]benzamide

6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;N-[4-[4-chloro-5-cyano-6-(4-phenoxyphenyl)-2-pyridinyl]phenyl]benzamide (PubChem CID 157114726) has the molecular formula C55H36Cl2N6O3 and a molecular weight of 899.84 g/mol. Its IUPAC name is 6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;N-[4-[4-chloro-5-cyano-6-(4-phenoxyphenyl)-2-pyridinyl]phenyl]benzamide.

Molecular Properties

Compound Name6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;N-[4-[4-chloro-5-cyano-6-(4-phenoxyphenyl)-2-pyridinyl]phenyl]benzamide
PubChem CID157114726
Molecular FormulaC55H36Cl2N6O3
Molecular Weight899.84 g/mol
Exact Mass898.22
IUPAC Name6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;N-[4-[4-chloro-5-cyano-6-(4-phenoxyphenyl)-2-pyridinyl]phenyl]benzamide
SMILESN#Cc1c(Cl)cc(-c2ccc(N)cc2)nc1-c1ccc(Oc2ccccc2)cc1.N#Cc1c(Cl)cc(-c2ccc(NC(=O)c3ccccc3)cc2)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C31H20ClN3O2.C24H16ClN3O/c32-28-19-29(21-11-15-24(16-12-21)34-31(36)23-7-3-1-4-8-23)35-30(27(28)20-33)22-13-17-26(18-14-22)37-25-9-5-2-6-10-25;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/h1-19H,(H,34,36);1-14H,27H2
InChIKeyAHGJRUZYLSIQDN-UHFFFAOYSA-N
XLogP14.30
TPSA146.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.84
LogP ≤ 514.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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;4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile
CID 161477208
N-[4-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]benzamide
CID 6407169
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
5-[4-[[3-[4-[[3-(4-aminophenoxy)-5-[[4-[3,5-bis[[4-(3,5-dicarboxyphenoxy)phenyl]carbamoyl]phenoxy]phenyl]carbamoyl]benzoyl]amino]phenoxy]-5-[[4-(3,5-dicarboxyphenoxy)phenyl]carbamoyl]benzoyl]amino]phenoxy]benzene-1,3-dicarboxylic acid
CID 101423023
N-[4-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]benzamide
CID 2900595
4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide
CID 141323890
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
N-[4-(2-amino-3-cyano-6-phenyl-4-pyridinyl)phenyl]acetamide
CID 3351971
N-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide
CID 856313
4-chloro-6-[[1-(2-oxopropyl)pyrazol-3-yl]amino]-2-(4-phenoxyphenyl)pyridine-3-carbonitrile
CID 67575057
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzamide
CID 122284080
N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide
CID 7900446

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;N-[4-[4-chloro-5-cyano-6-(4-phenoxyphenyl)-2-pyridinyl]phenyl]benzamide?
The IUPAC name of 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) is 6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;N-[4-[4-chloro-5-cyano-6-(4-phenoxyphenyl)-2-pyridinyl]phenyl]benzamide.
What is the SMILES notation for 6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;N-[4-[4-chloro-5-cyano-6-(4-phenoxyphenyl)-2-pyridinyl]phenyl]benzamide?
The canonical SMILES for 6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;N-[4-[4-chloro-5-cyano-6-(4-phenoxyphenyl)-2-pyridinyl]phenyl]benzamide is N#Cc1c(Cl)cc(-c2ccc(N)cc2)nc1-c1ccc(Oc2ccccc2)cc1.N#Cc1c(Cl)cc(-c2ccc(NC(=O)c3ccccc3)cc2)nc1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;N-[4-[4-chloro-5-cyano-6-(4-phenoxyphenyl)-2-pyridinyl]phenyl]benzamide?
The InChIKey is AHGJRUZYLSIQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20ClN3O2.C24H16ClN3O/c32-28-19-29(21-11-15-24(16-12-21)34-31(36)23-7-3-1-4-8-23)35-30(27(28)20-33)22-13-17-26(18-14-22)37-25-9-5-2-6-10-25;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/h1-19H,(H,34,36);1-14H,27H2.
What are the key properties of 6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;N-[4-[4-chloro-5-cyano-6-(4-phenoxyphenyl)-2-pyridinyl]phenyl]benzamide?
6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;N-[4-[4-chloro-5-cyano-6-(4-phenoxyphenyl)-2-pyridinyl]phenyl]benzamide has a molecular weight of 899.84 g/mol, XLogP of 14.30, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;N-[4-[4-chloro-5-cyano-6-(4-phenoxyphenyl)-2-pyridinyl]phenyl]benzamide is sourced from PubChem (CID 157114726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).