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

C18H25N5O — CID 56873252

IUPAC2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile
SMILESCCC(C)(C)c1cc(-c2c(C)nn(CCO)c2C)c(C#N)c(N)n1
InChIInChI=1S/C18H25N5O/c1-6-18(4,5)15-9-13(14(10-19)17(20)21-15)16-11(2)22-23(7-8-24)12(16)3/h9,24H,6-8H2,1-5H3,(H2,20,21)
InChIKeyWELQEGCWDHWHBU-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.70
Rot. Bonds5

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

2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile (PubChem CID 56873252) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile
PubChem CID56873252
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile
SMILESCCC(C)(C)c1cc(-c2c(C)nn(CCO)c2C)c(C#N)c(N)n1
InChIInChI=1S/C18H25N5O/c1-6-18(4,5)15-9-13(14(10-19)17(20)21-15)16-11(2)22-23(7-8-24)12(16)3/h9,24H,6-8H2,1-5H3,(H2,20,21)
InChIKeyWELQEGCWDHWHBU-UHFFFAOYSA-N
XLogP2.70
TPSA100.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile (CID 56873252) is 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile is CCC(C)(C)c1cc(-c2c(C)nn(CCO)c2C)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile?
The InChIKey is WELQEGCWDHWHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-6-18(4,5)15-9-13(14(10-19)17(20)21-15)16-11(2)22-23(7-8-24)12(16)3/h9,24H,6-8H2,1-5H3,(H2,20,21).
What are the key properties of 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile?
2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile has a molecular weight of 327.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(2-methylbutan-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56873252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).