5-amino-6-methoxy-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile

C16H17N3O5 — CID 70307137

IUPAC5-amino-6-methoxy-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile
SMILESCOc1cc(-c2c(N)c(OC)[nH]c(=O)c2C#N)cc(OC)c1OC
InChIInChI=1S/C16H17N3O5/c1-21-10-5-8(6-11(22-2)14(10)23-3)12-9(7-17)15(20)19-16(24-4)13(12)18/h5-6H,18H2,1-4H3,(H,19,20)
InChIKeyPEJYFXLBHFYHFF-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.53
Rot. Bonds5

About 5-amino-6-methoxy-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile

5-amino-6-methoxy-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile (PubChem CID 70307137) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 5-amino-6-methoxy-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-methoxy-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile
PubChem CID70307137
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name5-amino-6-methoxy-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile
SMILESCOc1cc(-c2c(N)c(OC)[nH]c(=O)c2C#N)cc(OC)c1OC
InChIInChI=1S/C16H17N3O5/c1-21-10-5-8(6-11(22-2)14(10)23-3)12-9(7-17)15(20)19-16(24-4)13(12)18/h5-6H,18H2,1-4H3,(H,19,20)
InChIKeyPEJYFXLBHFYHFF-UHFFFAOYSA-N
XLogP1.53
TPSA119.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-amino-6-methoxy-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-methoxy-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-methoxy-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile (CID 70307137) is 5-amino-6-methoxy-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-methoxy-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-methoxy-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile is COc1cc(-c2c(N)c(OC)[nH]c(=O)c2C#N)cc(OC)c1OC.
What is the InChIKey of 5-amino-6-methoxy-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile?
The InChIKey is PEJYFXLBHFYHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-21-10-5-8(6-11(22-2)14(10)23-3)12-9(7-17)15(20)19-16(24-4)13(12)18/h5-6H,18H2,1-4H3,(H,19,20).
What are the key properties of 5-amino-6-methoxy-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile?
5-amino-6-methoxy-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile has a molecular weight of 331.33 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-methoxy-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 70307137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).