2-amino-4-(1,5-dimethylpyrazol-4-yl)-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile

C16H21N5 — CID 56872473

IUPAC2-amino-4-(1,5-dimethylpyrazol-4-yl)-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile
SMILESCCC(C)(C)c1cc(-c2cnn(C)c2C)c(C#N)c(N)n1
InChIInChI=1S/C16H21N5/c1-6-16(3,4)14-7-11(12(8-17)15(18)20-14)13-9-19-21(5)10(13)2/h7,9H,6H2,1-5H3,(H2,18,20)
InChIKeySZPCKPZJMGJGHB-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.93
Rot. Bonds3

About 2-amino-4-(1,5-dimethylpyrazol-4-yl)-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile

2-amino-4-(1,5-dimethylpyrazol-4-yl)-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile (PubChem CID 56872473) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-amino-4-(1,5-dimethylpyrazol-4-yl)-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(1,5-dimethylpyrazol-4-yl)-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile
PubChem CID56872473
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-amino-4-(1,5-dimethylpyrazol-4-yl)-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile
SMILESCCC(C)(C)c1cc(-c2cnn(C)c2C)c(C#N)c(N)n1
InChIInChI=1S/C16H21N5/c1-6-16(3,4)14-7-11(12(8-17)15(18)20-14)13-9-19-21(5)10(13)2/h7,9H,6H2,1-5H3,(H2,18,20)
InChIKeySZPCKPZJMGJGHB-UHFFFAOYSA-N
XLogP2.93
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 71454219
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CID 841963
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CID 18674213
CID 90646677
CID 90646677
CID 155385431
CID 155385431
CID 155385433
CID 155385433
CID 155385442
CID 155385442
CID 155385450
CID 155385450
CID 155385458
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CID 933872
CID 933872

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,5-dimethylpyrazol-4-yl)-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(1,5-dimethylpyrazol-4-yl)-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile (CID 56872473) is 2-amino-4-(1,5-dimethylpyrazol-4-yl)-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(1,5-dimethylpyrazol-4-yl)-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(1,5-dimethylpyrazol-4-yl)-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile is CCC(C)(C)c1cc(-c2cnn(C)c2C)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-4-(1,5-dimethylpyrazol-4-yl)-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile?
The InChIKey is SZPCKPZJMGJGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-6-16(3,4)14-7-11(12(8-17)15(18)20-14)13-9-19-21(5)10(13)2/h7,9H,6H2,1-5H3,(H2,18,20).
What are the key properties of 2-amino-4-(1,5-dimethylpyrazol-4-yl)-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile?
2-amino-4-(1,5-dimethylpyrazol-4-yl)-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile has a molecular weight of 283.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,5-dimethylpyrazol-4-yl)-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56872473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).