2-amino-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-1-ium-3-carbonitrile

C20H18N3O+ — CID 7386481

IUPAC2-amino-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-1-ium-3-carbonitrile
SMILESCOc1ccccc1-c1cc(-c2ccc(C)cc2)[nH+]c(N)c1C#N
InChIInChI=1S/C20H17N3O/c1-13-7-9-14(10-8-13)18-11-16(17(12-21)20(22)23-18)15-5-3-4-6-19(15)24-2/h3-11H,1-2H3,(H2,22,23)/p+1
InChIKeyQBVZDPBZHNXMGY-UHFFFAOYSA-O
MW316.38 g/mol
LogP3.61
Rot. Bonds3

About 2-amino-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-1-ium-3-carbonitrile

2-amino-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-1-ium-3-carbonitrile (PubChem CID 7386481) has the molecular formula C20H18N3O+ and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-amino-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-1-ium-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-1-ium-3-carbonitrile
PubChem CID7386481
Molecular FormulaC20H18N3O+
Molecular Weight316.38 g/mol
Exact Mass316.14
IUPAC Name2-amino-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-1-ium-3-carbonitrile
SMILESCOc1ccccc1-c1cc(-c2ccc(C)cc2)[nH+]c(N)c1C#N
InChIInChI=1S/C20H17N3O/c1-13-7-9-14(10-8-13)18-11-16(17(12-21)20(22)23-18)15-5-3-4-6-19(15)24-2/h3-11H,1-2H3,(H2,22,23)/p+1
InChIKeyQBVZDPBZHNXMGY-UHFFFAOYSA-O
XLogP3.61
TPSA73.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(3,4-dimethoxyphenyl)-6-(3,4-dimethylphenyl)pyridin-1-ium-3-carbonitrile
CID 7378055
2-amino-6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)pyridin-1-ium-3-carbonitrile
CID 7378054
2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile
CID 6951829
2-amino-4-(2-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231002
2-amino-6-(4-hydroxyphenyl)-4-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 856314
2,3-diamino-6-(2-methoxyphenyl)benzonitrile
CID 25241803
2-amino-4-(4-methylphenyl)-6-phenylbenzene-1,3-dicarbonitrile
CID 880489
2-amino-6-(3-fluorophenyl)-4-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 5118237
4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile
CID 15889206
2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)pyridin-1-ium-3-carbonitrile
CID 6951851
2-amino-4-(2-chlorophenyl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 4636440
2-(2-methoxy-4-methylphenyl)benzonitrile
CID 19389898

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-1-ium-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-1-ium-3-carbonitrile (CID 7386481) is 2-amino-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-1-ium-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-1-ium-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-1-ium-3-carbonitrile is COc1ccccc1-c1cc(-c2ccc(C)cc2)[nH+]c(N)c1C#N.
What is the InChIKey of 2-amino-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-1-ium-3-carbonitrile?
The InChIKey is QBVZDPBZHNXMGY-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H17N3O/c1-13-7-9-14(10-8-13)18-11-16(17(12-21)20(22)23-18)15-5-3-4-6-19(15)24-2/h3-11H,1-2H3,(H2,22,23)/p+1.
What are the key properties of 2-amino-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-1-ium-3-carbonitrile?
2-amino-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-1-ium-3-carbonitrile has a molecular weight of 316.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-1-ium-3-carbonitrile is sourced from PubChem (CID 7386481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).