2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile

C20H15Cl2N3O — CID 3308725

IUPAC2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2nc(N)c(C#N)c(-c3ccc(Cl)cc3Cl)c2C)cc1
InChIInChI=1S/C20H15Cl2N3O/c1-11-18(15-8-5-13(21)9-17(15)22)16(10-23)20(24)25-19(11)12-3-6-14(26-2)7-4-12/h3-9H,1-2H3,(H2,24,25)
InChIKeyTXNIHGGRDRZEDE-UHFFFAOYSA-N
MW384.27 g/mol
LogP5.49
Rot. Bonds3

About 2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile

2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile (PubChem CID 3308725) has the molecular formula C20H15Cl2N3O and a molecular weight of 384.27 g/mol. Its IUPAC name is 2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile
PubChem CID3308725
Molecular FormulaC20H15Cl2N3O
Molecular Weight384.27 g/mol
Exact Mass383.06
IUPAC Name2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2nc(N)c(C#N)c(-c3ccc(Cl)cc3Cl)c2C)cc1
InChIInChI=1S/C20H15Cl2N3O/c1-11-18(15-8-5-13(21)9-17(15)22)16(10-23)20(24)25-19(11)12-3-6-14(26-2)7-4-12/h3-9H,1-2H3,(H2,24,25)
InChIKeyTXNIHGGRDRZEDE-UHFFFAOYSA-N
XLogP5.49
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3330133
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3337532
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 3337530
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3333698
2-amino-6-(3-chlorophenyl)-4-(3-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322466
2-amino-6-(4-chlorophenyl)-4-(2,5-difluorophenyl)-5-methylpyridine-3-carbonitrile
CID 3317750
2-amino-6-(4-chlorophenyl)-5-methyl-4-(2-methylphenyl)pyridine-3-carbonitrile
CID 3313312
2-amino-6-(2,4-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile
CID 3339403
2-amino-6-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322467
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 3339409
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3-methylthiophen-2-yl)pyridine-3-carbonitrile
CID 3339406
2-amino-6-(4-methoxyphenyl)pyridine-3,4,5-tricarbonitrile
CID 12736666

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile (CID 3308725) is 2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile is COc1ccc(-c2nc(N)c(C#N)c(-c3ccc(Cl)cc3Cl)c2C)cc1.
What is the InChIKey of 2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile?
The InChIKey is TXNIHGGRDRZEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O/c1-11-18(15-8-5-13(21)9-17(15)22)16(10-23)20(24)25-19(11)12-3-6-14(26-2)7-4-12/h3-9H,1-2H3,(H2,24,25).
What are the key properties of 2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile?
2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile has a molecular weight of 384.27 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 3308725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).