2-amino-4-(2-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile

C15H15N3O — CID 649978

IUPAC2-amino-4-(2-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
SMILESCOc1ccccc1-c1c(C)c(C)nc(N)c1C#N
InChIInChI=1S/C15H15N3O/c1-9-10(2)18-15(17)12(8-16)14(9)11-6-4-5-7-13(11)19-3/h4-7H,1-3H3,(H2,17,18)
InChIKeyMSGSTYDFHPUBPM-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.83
Rot. Bonds2

About 2-amino-4-(2-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile

2-amino-4-(2-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile (PubChem CID 649978) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-amino-4-(2-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
PubChem CID649978
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-amino-4-(2-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
SMILESCOc1ccccc1-c1c(C)c(C)nc(N)c1C#N
InChIInChI=1S/C15H15N3O/c1-9-10(2)18-15(17)12(8-16)14(9)11-6-4-5-7-13(11)19-3/h4-7H,1-3H3,(H2,17,18)
InChIKeyMSGSTYDFHPUBPM-UHFFFAOYSA-N
XLogP2.83
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-(3'-Methoxybiphenyl-3-YL)ethyl)pyridin-2-amine
CID 11659487
2-Amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
CID 934596
2-Amino-6-(4-hydroxy-phenyl)-4-(4-methoxy-phenyl)-nicotinonitrile
CID 856248
6-Ethyl-5-(3-methoxy-phenyl)-pyrimidine-2,4-diamine
CID 10466996
2-Amino-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile
CID 748928
2-(4-Methoxy-benzylamino)-4,6-dimethyl-nicotinonitrile
CID 975783
2-Amino-4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CID 856333
2-Methoxy-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 2768879
2-amino-4-(2-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 779677
2-amino-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 678620
2-Amino-6-(4-hydroxy-phenyl)-4-(2-methoxy-phenyl)-nicotinonitrile
CID 856314
2-Amino-6-(4-methoxyphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile
CID 1862355

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile (CID 649978) is 2-amino-4-(2-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile is COc1ccccc1-c1c(C)c(C)nc(N)c1C#N.
What is the InChIKey of 2-amino-4-(2-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile?
The InChIKey is MSGSTYDFHPUBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-10(2)18-15(17)12(8-16)14(9)11-6-4-5-7-13(11)19-3/h4-7H,1-3H3,(H2,17,18).
What are the key properties of 2-amino-4-(2-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile?
2-amino-4-(2-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 649978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).