2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile

C22H21N3O3 — CID 5119915

IUPAC2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3cccc(OC)c3)nc(N)c2C#N)cc1OC
InChIInChI=1S/C22H21N3O3/c1-4-28-20-9-8-14(11-21(20)27-3)17-12-19(25-22(24)18(17)13-23)15-6-5-7-16(10-15)26-2/h5-12H,4H2,1-3H3,(H2,24,25)
InChIKeyYKFDRXIKENNQFK-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.29
Rot. Bonds6

About 2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile

2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 5119915) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID5119915
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3cccc(OC)c3)nc(N)c2C#N)cc1OC
InChIInChI=1S/C22H21N3O3/c1-4-28-20-9-8-14(11-21(20)27-3)17-12-19(25-22(24)18(17)13-23)15-6-5-7-16(10-15)26-2/h5-12H,4H2,1-3H3,(H2,24,25)
InChIKeyYKFDRXIKENNQFK-UHFFFAOYSA-N
XLogP4.29
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile
CID 3395714
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909
2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 5259045
2-amino-4-(2-ethoxyphenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3371240
2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile
CID 5120091
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5241528
2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
CID 5088737
2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5253696
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
2-amino-4-(3,4-dimethoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 856280
2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 136691533

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile (CID 5119915) is 2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile is CCOc1ccc(-c2cc(-c3cccc(OC)c3)nc(N)c2C#N)cc1OC.
What is the InChIKey of 2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is YKFDRXIKENNQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-4-28-20-9-8-14(11-21(20)27-3)17-12-19(25-22(24)18(17)13-23)15-6-5-7-16(10-15)26-2/h5-12H,4H2,1-3H3,(H2,24,25).
What are the key properties of 2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile?
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 375.43 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5119915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).