4-(4-aminophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile

C19H16N4O — CID 154644670

IUPAC4-(4-aminophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile
SMILESCOc1nc(-c2ncccc2C)cc(-c2ccc(N)cc2)c1C#N
InChIInChI=1S/C19H16N4O/c1-12-4-3-9-22-18(12)17-10-15(13-5-7-14(21)8-6-13)16(11-20)19(23-17)24-2/h3-10H,21H2,1-2H3
InChIKeyFSYJNCHUENWJEE-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.58
Rot. Bonds3

About 4-(4-aminophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile

4-(4-aminophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile (PubChem CID 154644670) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-aminophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile
PubChem CID154644670
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name4-(4-aminophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile
SMILESCOc1nc(-c2ncccc2C)cc(-c2ccc(N)cc2)c1C#N
InChIInChI=1S/C19H16N4O/c1-12-4-3-9-22-18(12)17-10-15(13-5-7-14(21)8-6-13)16(11-20)19(23-17)24-2/h3-10H,21H2,1-2H3
InChIKeyFSYJNCHUENWJEE-UHFFFAOYSA-N
XLogP3.58
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Methoxy-4,6-diphenylpyridine-3-carbonitrile
CID 678565
2-Amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
CID 934596
6-(4-Heptoxyphenyl)-3-pyridinecarbonitrile
CID 3126290
2-amino-7-(diethylamino)-4-(pyridin-3-yl)-4H-chromene-3-carbonitrile
CID 658614
2-amino-7-(dimethylamino)-4-(pyridin-3-yl)-4H-chromene-3-carbonitrile
CID 9857237
2-amino-7-(dimethylamino)-4-(pyridin-4-yl)-4H-chromene-3-carbonitrile
CID 9857238
2,7-diamino-4-(pyridin-3-yl)-4H-chromene-3-carbonitrile
CID 2839271
3-Methoxy-5-(1,5-naphthyridin-3-yl)benzonitrile
CID 44434733
2-Amino-4-(3-methoxyphenyl)-6-pyridin-3-ylpyridine-3-carbonitrile
CID 938228
4-Methoxy-1-[2-(6-(2-pyridyl)(2-pyridyl))(4-pyridyl)]benzene
CID 4105676
2-amino-7-(dimethylamino)-4-pyridin-2-yl-4H-chromene-3-carbonitrile
CID 9796073
2-amino-7-(dimethylamino)-4-(5-methyl-3-pyridinyl)-4H-chromene-3-carbonitrile
CID 11324224

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile?
The IUPAC name of 4-(4-aminophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile (CID 154644670) is 4-(4-aminophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-aminophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-aminophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile is COc1nc(-c2ncccc2C)cc(-c2ccc(N)cc2)c1C#N.
What is the InChIKey of 4-(4-aminophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile?
The InChIKey is FSYJNCHUENWJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-12-4-3-9-22-18(12)17-10-15(13-5-7-14(21)8-6-13)16(11-20)19(23-17)24-2/h3-10H,21H2,1-2H3.
What are the key properties of 4-(4-aminophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile?
4-(4-aminophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile has a molecular weight of 316.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile is sourced from PubChem (CID 154644670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).