2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile

C23H23N3O3 — CID 3517156

IUPAC2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cc(C)ccc3C)nc(N)c2C#N)c(OC)c1OC
InChIInChI=1S/C23H23N3O3/c1-13-6-7-14(2)16(10-13)19-11-17(18(12-24)23(25)26-19)15-8-9-20(27-3)22(29-5)21(15)28-4/h6-11H,1-5H3,(H2,25,26)
InChIKeyUJZKNFVJNNHGQV-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.51
Rot. Bonds5

About 2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 3517156) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID3517156
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cc(C)ccc3C)nc(N)c2C#N)c(OC)c1OC
InChIInChI=1S/C23H23N3O3/c1-13-6-7-14(2)16(10-13)19-11-17(18(12-24)23(25)26-19)15-8-9-20(27-3)22(29-5)21(15)28-4/h6-11H,1-5H3,(H2,25,26)
InChIKeyUJZKNFVJNNHGQV-UHFFFAOYSA-N
XLogP4.51
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5230020
2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile
CID 3513608
2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5117892
2-amino-6-(3-fluorophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5118716
2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230497
2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile
CID 3517163
2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3351973
2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3506050
2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
CID 5117523
2-amino-6-(3,4-dimethylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3502077
2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3505771
2-amino-6-methoxy-4-(2,3,4-trimethoxyphenyl)pyridine-3,5-dicarbonitrile
CID 6491035

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile (CID 3517156) is 2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3cc(C)ccc3C)nc(N)c2C#N)c(OC)c1OC.
What is the InChIKey of 2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is UJZKNFVJNNHGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-13-6-7-14(2)16(10-13)19-11-17(18(12-24)23(25)26-19)15-8-9-20(27-3)22(29-5)21(15)28-4/h6-11H,1-5H3,(H2,25,26).
What are the key properties of 2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 389.46 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3517156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).