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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Related Compounds

6-Ethyl-5-{3-[2-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149549
6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
6-Ethyl-5-[3-(3-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 71525312
5-[3-(3-Methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine
CID 71560291
2-Pyridinamine, 4-(4-methoxyphenyl)-
CID 82397500
2-Amino-6-(4-hydroxy-phenyl)-4-(4-methoxy-phenyl)-nicotinonitrile
CID 856248
6-(4-Heptoxyphenyl)-3-pyridinecarbonitrile
CID 3126290
6-Ethyl-5-[3-(2-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 118753247
6-Ethyl-5-{(3r)-3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]but-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 56955942
cis-1-(4-(4-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10383331
2-Amino-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile
CID 748928
2-Amino-4-(3-methoxyphenyl)-6-pyridin-3-ylpyridine-3-carbonitrile
CID 938228

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).