2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonitrile

C20H19N5O2 — CID 135990769

IUPAC2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(-c3ccc(N(C)C)nc3)c(C#N)c(N)n2)ccc1O
InChIInChI=1S/C20H19N5O2/c1-25(2)19-7-5-13(11-23-19)14-9-16(24-20(22)15(14)10-21)12-4-6-17(26)18(8-12)27-3/h4-9,11,26H,1-3H3,(H2,22,24)
InChIKeyHEUFHJDXKVVWLW-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.04
Rot. Bonds4

About 2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonitrile

2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 135990769) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID135990769
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(-c3ccc(N(C)C)nc3)c(C#N)c(N)n2)ccc1O
InChIInChI=1S/C20H19N5O2/c1-25(2)19-7-5-13(11-23-19)14-9-16(24-20(22)15(14)10-21)12-4-6-17(26)18(8-12)27-3/h4-9,11,26H,1-3H3,(H2,22,24)
InChIKeyHEUFHJDXKVVWLW-UHFFFAOYSA-N
XLogP3.04
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 136691533
2-amino-4-(3,4-dimethoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 856280
2-amino-6-(3,4-dimethylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3502077
2-amino-6-(4-aminophenyl)-4-(3,4-dihydroxyphenyl)pyridine-3-carbonitrile
CID 177295527
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
2-amino-4-(4-hydroxy-3-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 856296
2-amino-6-(4-hydroxyphenyl)-4-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 856314
2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 4636477
2-amino-6-(4-methoxyphenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3375509
N-[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
CID 135456571
2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile
CID 3395714
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 5119915

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonitrile (CID 135990769) is 2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonitrile is COc1cc(-c2cc(-c3ccc(N(C)C)nc3)c(C#N)c(N)n2)ccc1O.
What is the InChIKey of 2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is HEUFHJDXKVVWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-25(2)19-7-5-13(11-23-19)14-9-16(24-20(22)15(14)10-21)12-4-6-17(26)18(8-12)27-3/h4-9,11,26H,1-3H3,(H2,22,24).
What are the key properties of 2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonitrile?
2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 361.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 135990769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).