2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile

C16H14N4O3 — CID 6491041

IUPAC2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile
SMILESCOc1cccc(-c2c(C#N)c(N)nc(OC)c2C#N)c1OC
InChIInChI=1S/C16H14N4O3/c1-21-12-6-4-5-9(14(12)22-2)13-10(7-17)15(19)20-16(23-3)11(13)8-18/h4-6H,1-3H3,(H2,19,20)
InChIKeyZTSAVWRBICALJJ-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.10
Rot. Bonds4

About 2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile

2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile (PubChem CID 6491041) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile
PubChem CID6491041
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile
SMILESCOc1cccc(-c2c(C#N)c(N)nc(OC)c2C#N)c1OC
InChIInChI=1S/C16H14N4O3/c1-21-12-6-4-5-9(14(12)22-2)13-10(7-17)15(19)20-16(23-3)11(13)8-18/h4-6H,1-3H3,(H2,19,20)
InChIKeyZTSAVWRBICALJJ-UHFFFAOYSA-N
XLogP2.10
TPSA114.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-6-methoxy-4-(2,3,4-trimethoxyphenyl)pyridine-3,5-dicarbonitrile
CID 6491035
2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 4633482
2-amino-6-methoxy-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile
CID 2731102
2-amino-6-methoxy-4-(3-phenylphenyl)pyridine-3,5-dicarbonitrile
CID 170319410
2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
CID 5117523
2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3395715
2-amino-4-(2-chlorophenyl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 4636440
2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile
CID 169396208
2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile
CID 70227227
2-amino-4-(6-chloro-1,3-benzodioxol-5-yl)-6-methoxypyridine-3,5-dicarbonitrile
CID 171983323
2-amino-6-ethoxy-4-(2-hydroxyphenyl)pyridine-3,5-dicarbonitrile
CID 137301601
2-amino-6-(furan-2-ylmethylsulfanyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3,5-dicarbonitrile
CID 25249608

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile (CID 6491041) is 2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile is COc1cccc(-c2c(C#N)c(N)nc(OC)c2C#N)c1OC.
What is the InChIKey of 2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile?
The InChIKey is ZTSAVWRBICALJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-21-12-6-4-5-9(14(12)22-2)13-10(7-17)15(19)20-16(23-3)11(13)8-18/h4-6H,1-3H3,(H2,19,20).
What are the key properties of 2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile?
2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile has a molecular weight of 310.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile is sourced from PubChem (CID 6491041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).