2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3-methylthiophen-2-yl)pyridine-3-carbonitrile

C18H13Cl2N3S — CID 3339406

IUPAC2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3-methylthiophen-2-yl)pyridine-3-carbonitrile
SMILESCc1ccsc1-c1c(C)c(-c2ccc(Cl)cc2Cl)nc(N)c1C#N
InChIInChI=1S/C18H13Cl2N3S/c1-9-5-6-24-17(9)15-10(2)16(23-18(22)13(15)8-21)12-4-3-11(19)7-14(12)20/h3-7H,1-2H3,(H2,22,23)
InChIKeyHBKVTOCETDRCDU-UHFFFAOYSA-N
MW374.30 g/mol
LogP5.85
Rot. Bonds2

About 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3-methylthiophen-2-yl)pyridine-3-carbonitrile

2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3-methylthiophen-2-yl)pyridine-3-carbonitrile (PubChem CID 3339406) has the molecular formula C18H13Cl2N3S and a molecular weight of 374.30 g/mol. Its IUPAC name is 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3-methylthiophen-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3-methylthiophen-2-yl)pyridine-3-carbonitrile
PubChem CID3339406
Molecular FormulaC18H13Cl2N3S
Molecular Weight374.30 g/mol
Exact Mass373.02
IUPAC Name2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3-methylthiophen-2-yl)pyridine-3-carbonitrile
SMILESCc1ccsc1-c1c(C)c(-c2ccc(Cl)cc2Cl)nc(N)c1C#N
InChIInChI=1S/C18H13Cl2N3S/c1-9-5-6-24-17(9)15-10(2)16(23-18(22)13(15)8-21)12-4-3-11(19)7-14(12)20/h3-7H,1-2H3,(H2,22,23)
InChIKeyHBKVTOCETDRCDU-UHFFFAOYSA-N
XLogP5.85
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.30
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3-methylthiophen-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3-methylthiophen-2-yl)pyridine-3-carbonitrile (CID 3339406) is 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3-methylthiophen-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3-methylthiophen-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3-methylthiophen-2-yl)pyridine-3-carbonitrile is Cc1ccsc1-c1c(C)c(-c2ccc(Cl)cc2Cl)nc(N)c1C#N.
What is the InChIKey of 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3-methylthiophen-2-yl)pyridine-3-carbonitrile?
The InChIKey is HBKVTOCETDRCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3S/c1-9-5-6-24-17(9)15-10(2)16(23-18(22)13(15)8-21)12-4-3-11(19)7-14(12)20/h3-7H,1-2H3,(H2,22,23).
What are the key properties of 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3-methylthiophen-2-yl)pyridine-3-carbonitrile?
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3-methylthiophen-2-yl)pyridine-3-carbonitrile has a molecular weight of 374.30 g/mol, XLogP of 5.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3-methylthiophen-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 3339406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).