2-amino-6-(1,3-dimethylpyrazol-4-yl)-4-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile

C19H19N5O — CID 56878977

IUPAC2-amino-6-(1,3-dimethylpyrazol-4-yl)-4-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cn(C)nc3C)nc(N)c2C#N)c(C)c1
InChIInChI=1S/C19H19N5O/c1-11-7-13(25-4)5-6-14(11)15-8-18(22-19(21)16(15)9-20)17-10-24(3)23-12(17)2/h5-8,10H,1-4H3,(H2,21,22)
InChIKeyZDSCAUYHKWATGR-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.23
Rot. Bonds3

About 2-amino-6-(1,3-dimethylpyrazol-4-yl)-4-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile

2-amino-6-(1,3-dimethylpyrazol-4-yl)-4-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile (PubChem CID 56878977) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-amino-6-(1,3-dimethylpyrazol-4-yl)-4-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(1,3-dimethylpyrazol-4-yl)-4-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile
PubChem CID56878977
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name2-amino-6-(1,3-dimethylpyrazol-4-yl)-4-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cn(C)nc3C)nc(N)c2C#N)c(C)c1
InChIInChI=1S/C19H19N5O/c1-11-7-13(25-4)5-6-14(11)15-8-18(22-19(21)16(15)9-20)17-10-24(3)23-12(17)2/h5-8,10H,1-4H3,(H2,21,22)
InChIKeyZDSCAUYHKWATGR-UHFFFAOYSA-N
XLogP3.23
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1,3-dimethylpyrazol-4-yl)-4-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(1,3-dimethylpyrazol-4-yl)-4-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile (CID 56878977) is 2-amino-6-(1,3-dimethylpyrazol-4-yl)-4-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(1,3-dimethylpyrazol-4-yl)-4-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(1,3-dimethylpyrazol-4-yl)-4-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3cn(C)nc3C)nc(N)c2C#N)c(C)c1.
What is the InChIKey of 2-amino-6-(1,3-dimethylpyrazol-4-yl)-4-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is ZDSCAUYHKWATGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-11-7-13(25-4)5-6-14(11)15-8-18(22-19(21)16(15)9-20)17-10-24(3)23-12(17)2/h5-8,10H,1-4H3,(H2,21,22).
What are the key properties of 2-amino-6-(1,3-dimethylpyrazol-4-yl)-4-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile?
2-amino-6-(1,3-dimethylpyrazol-4-yl)-4-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 333.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1,3-dimethylpyrazol-4-yl)-4-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 56878977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).