5-amino-2,4-bis(4-chlorophenyl)-2-methyl-7-phenylsulfanyl-1H-1,6-naphthyridine-8-carbonitrile

C28H20Cl2N4S — CID 73056424

IUPAC5-amino-2,4-bis(4-chlorophenyl)-2-methyl-7-phenylsulfanyl-1H-1,6-naphthyridine-8-carbonitrile
SMILESCC1(c2ccc(Cl)cc2)C=C(c2ccc(Cl)cc2)c2c(N)nc(Sc3ccccc3)c(C#N)c2N1
InChIInChI=1S/C28H20Cl2N4S/c1-28(18-9-13-20(30)14-10-18)15-22(17-7-11-19(29)12-8-17)24-25(34-28)23(16-31)27(33-26(24)32)35-21-5-3-2-4-6-21/h2-15,34H,1H3,(H2,32,33)
InChIKeySFMJYKRYAIEXMN-UHFFFAOYSA-N
MW515.47 g/mol
LogP7.77
Rot. Bonds4

About 5-amino-2,4-bis(4-chlorophenyl)-2-methyl-7-phenylsulfanyl-1H-1,6-naphthyridine-8-carbonitrile

5-amino-2,4-bis(4-chlorophenyl)-2-methyl-7-phenylsulfanyl-1H-1,6-naphthyridine-8-carbonitrile (PubChem CID 73056424) has the molecular formula C28H20Cl2N4S and a molecular weight of 515.47 g/mol. Its IUPAC name is 5-amino-2,4-bis(4-chlorophenyl)-2-methyl-7-phenylsulfanyl-1H-1,6-naphthyridine-8-carbonitrile.

Molecular Properties

Compound Name5-amino-2,4-bis(4-chlorophenyl)-2-methyl-7-phenylsulfanyl-1H-1,6-naphthyridine-8-carbonitrile
PubChem CID73056424
Molecular FormulaC28H20Cl2N4S
Molecular Weight515.47 g/mol
Exact Mass514.08
IUPAC Name5-amino-2,4-bis(4-chlorophenyl)-2-methyl-7-phenylsulfanyl-1H-1,6-naphthyridine-8-carbonitrile
SMILESCC1(c2ccc(Cl)cc2)C=C(c2ccc(Cl)cc2)c2c(N)nc(Sc3ccccc3)c(C#N)c2N1
InChIInChI=1S/C28H20Cl2N4S/c1-28(18-9-13-20(30)14-10-18)15-22(17-7-11-19(29)12-8-17)24-25(34-28)23(16-31)27(33-26(24)32)35-21-5-3-2-4-6-21/h2-15,34H,1H3,(H2,32,33)
InChIKeySFMJYKRYAIEXMN-UHFFFAOYSA-N
XLogP7.77
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.47
LogP ≤ 57.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-7-ethoxy-2-methyl-2,4-diphenyl-1H-1,6-naphthyridine-8-carbonitrile
CID 73056146
2-amino-4-(4-chlorophenyl)-6-(2-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile
CID 24796393
2-amino-4-(4-methylphenyl)-6-(4-methylphenyl)sulfanylpyridine-3,5-dicarbonitrile
CID 102234389
2-amino-4-[4-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 11349923
2-amino-4-(furan-2-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 28621951
2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 154585292
2-[4,6-bis(4-chlorophenyl)-3-cyano-6-methyl-1H-pyridin-2-yl]propanedinitrile;ethanamine
CID 57364385
2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 11361402
2-amino-4-(4-chlorophenyl)-6-(2-hydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile
CID 58739701
methyl 4-[2-amino-6-(3-chlorophenyl)sulfanyl-3,5-dicyano-4-pyridinyl]benzoate
CID 11611503
2-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 71597146
2-amino-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 11615787

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-bis(4-chlorophenyl)-2-methyl-7-phenylsulfanyl-1H-1,6-naphthyridine-8-carbonitrile?
The IUPAC name of 5-amino-2,4-bis(4-chlorophenyl)-2-methyl-7-phenylsulfanyl-1H-1,6-naphthyridine-8-carbonitrile (CID 73056424) is 5-amino-2,4-bis(4-chlorophenyl)-2-methyl-7-phenylsulfanyl-1H-1,6-naphthyridine-8-carbonitrile.
What is the SMILES notation for 5-amino-2,4-bis(4-chlorophenyl)-2-methyl-7-phenylsulfanyl-1H-1,6-naphthyridine-8-carbonitrile?
The canonical SMILES for 5-amino-2,4-bis(4-chlorophenyl)-2-methyl-7-phenylsulfanyl-1H-1,6-naphthyridine-8-carbonitrile is CC1(c2ccc(Cl)cc2)C=C(c2ccc(Cl)cc2)c2c(N)nc(Sc3ccccc3)c(C#N)c2N1.
What is the InChIKey of 5-amino-2,4-bis(4-chlorophenyl)-2-methyl-7-phenylsulfanyl-1H-1,6-naphthyridine-8-carbonitrile?
The InChIKey is SFMJYKRYAIEXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl2N4S/c1-28(18-9-13-20(30)14-10-18)15-22(17-7-11-19(29)12-8-17)24-25(34-28)23(16-31)27(33-26(24)32)35-21-5-3-2-4-6-21/h2-15,34H,1H3,(H2,32,33).
What are the key properties of 5-amino-2,4-bis(4-chlorophenyl)-2-methyl-7-phenylsulfanyl-1H-1,6-naphthyridine-8-carbonitrile?
5-amino-2,4-bis(4-chlorophenyl)-2-methyl-7-phenylsulfanyl-1H-1,6-naphthyridine-8-carbonitrile has a molecular weight of 515.47 g/mol, XLogP of 7.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-bis(4-chlorophenyl)-2-methyl-7-phenylsulfanyl-1H-1,6-naphthyridine-8-carbonitrile is sourced from PubChem (CID 73056424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).