2-amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile

C19H16N4O — CID 934596

IUPAC2-amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2nc(N)c(C#N)c(-c3cccnc3)c2C)cc1
InChIInChI=1S/C19H16N4O/c1-12-17(14-4-3-9-22-11-14)16(10-20)19(21)23-18(12)13-5-7-15(24-2)8-6-13/h3-9,11H,1-2H3,(H2,21,23)
InChIKeyFKQVHBCDNBNNCV-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.58
Rot. Bonds3

About 2-amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile

2-amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile (PubChem CID 934596) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
PubChem CID934596
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2nc(N)c(C#N)c(-c3cccnc3)c2C)cc1
InChIInChI=1S/C19H16N4O/c1-12-17(14-4-3-9-22-11-14)16(10-20)19(21)23-18(12)13-5-7-15(24-2)8-6-13/h3-9,11H,1-2H3,(H2,21,23)
InChIKeyFKQVHBCDNBNNCV-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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile (CID 934596) is 2-amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile is COc1ccc(-c2nc(N)c(C#N)c(-c3cccnc3)c2C)cc1.
What is the InChIKey of 2-amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile?
The InChIKey is FKQVHBCDNBNNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-12-17(14-4-3-9-22-11-14)16(10-20)19(21)23-18(12)13-5-7-15(24-2)8-6-13/h3-9,11H,1-2H3,(H2,21,23).
What are the key properties of 2-amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile?
2-amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-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 2-amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 934596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).