2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile

C22H21N3O3 — CID 5230020

IUPAC2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cccc(C)c3)nc(N)c2C#N)c(OC)c1OC
InChIInChI=1S/C22H21N3O3/c1-13-6-5-7-14(10-13)18-11-16(17(12-23)22(24)25-18)15-8-9-19(26-2)21(28-4)20(15)27-3/h5-11H,1-4H3,(H2,24,25)
InChIKeyWLCFAKPATWMAKV-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.20
Rot. Bonds5

About 2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 5230020) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID5230020
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cccc(C)c3)nc(N)c2C#N)c(OC)c1OC
InChIInChI=1S/C22H21N3O3/c1-13-6-5-7-14(10-13)18-11-16(17(12-23)22(24)25-18)15-8-9-19(26-2)21(28-4)20(15)27-3/h5-11H,1-4H3,(H2,24,25)
InChIKeyWLCFAKPATWMAKV-UHFFFAOYSA-N
XLogP4.20
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile (CID 5230020) is 2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3cccc(C)c3)nc(N)c2C#N)c(OC)c1OC.
What is the InChIKey of 2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is WLCFAKPATWMAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13-6-5-7-14(10-13)18-11-16(17(12-23)22(24)25-18)15-8-9-19(26-2)21(28-4)20(15)27-3/h5-11H,1-4H3,(H2,24,25).
What are the key properties of 2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 375.43 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5230020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).