5-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)pyridine-3-carbonitrile

C21H19N3O3 — CID 24860134

IUPAC5-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)pyridine-3-carbonitrile
SMILESCOc1ccc(Nc2c(C#N)cncc2-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H19N3O3/c1-25-17-7-5-16(6-8-17)24-21-15(11-22)12-23-13-18(21)14-4-9-19(26-2)20(10-14)27-3/h4-10,12-13H,1-3H3,(H,23,24)
InChIKeyOJGHWRDUNPVUAZ-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.39
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)pyridine-3-carbonitrile

5-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)pyridine-3-carbonitrile (PubChem CID 24860134) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)pyridine-3-carbonitrile
PubChem CID24860134
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name5-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)pyridine-3-carbonitrile
SMILESCOc1ccc(Nc2c(C#N)cncc2-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H19N3O3/c1-25-17-7-5-16(6-8-17)24-21-15(11-22)12-23-13-18(21)14-4-9-19(26-2)20(10-14)27-3/h4-10,12-13H,1-3H3,(H,23,24)
InChIKeyOJGHWRDUNPVUAZ-UHFFFAOYSA-N
XLogP4.39
TPSA76.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)pyridine-3-carbonitrile (CID 24860134) is 5-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)pyridine-3-carbonitrile is COc1ccc(Nc2c(C#N)cncc2-c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)pyridine-3-carbonitrile?
The InChIKey is OJGHWRDUNPVUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-25-17-7-5-16(6-8-17)24-21-15(11-22)12-23-13-18(21)14-4-9-19(26-2)20(10-14)27-3/h4-10,12-13H,1-3H3,(H,23,24).
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)pyridine-3-carbonitrile?
5-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)pyridine-3-carbonitrile has a molecular weight of 361.40 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 24860134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).