2-amino-6-cyclobutyl-4-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile

C17H19N5 — CID 56748356

IUPAC2-amino-6-cyclobutyl-4-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESC=CCn1cc(-c2cc(C3CCC3)nc(N)c2C#N)c(C)n1
InChIInChI=1S/C17H19N5/c1-3-7-22-10-15(11(2)21-22)13-8-16(12-5-4-6-12)20-17(19)14(13)9-18/h3,8,10,12H,1,4-7H2,2H3,(H2,19,20)
InChIKeyWICCGTNIODJWDA-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.16
Rot. Bonds4

About 2-amino-6-cyclobutyl-4-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile

2-amino-6-cyclobutyl-4-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile (PubChem CID 56748356) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-amino-6-cyclobutyl-4-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-cyclobutyl-4-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile
PubChem CID56748356
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name2-amino-6-cyclobutyl-4-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESC=CCn1cc(-c2cc(C3CCC3)nc(N)c2C#N)c(C)n1
InChIInChI=1S/C17H19N5/c1-3-7-22-10-15(11(2)21-22)13-8-16(12-5-4-6-12)20-17(19)14(13)9-18/h3,8,10,12H,1,4-7H2,2H3,(H2,19,20)
InChIKeyWICCGTNIODJWDA-UHFFFAOYSA-N
XLogP3.16
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-cyclobutyl-4-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-cyclobutyl-4-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile (CID 56748356) is 2-amino-6-cyclobutyl-4-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-cyclobutyl-4-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-cyclobutyl-4-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile is C=CCn1cc(-c2cc(C3CCC3)nc(N)c2C#N)c(C)n1.
What is the InChIKey of 2-amino-6-cyclobutyl-4-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile?
The InChIKey is WICCGTNIODJWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-3-7-22-10-15(11(2)21-22)13-8-16(12-5-4-6-12)20-17(19)14(13)9-18/h3,8,10,12H,1,4-7H2,2H3,(H2,19,20).
What are the key properties of 2-amino-6-cyclobutyl-4-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile?
2-amino-6-cyclobutyl-4-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-cyclobutyl-4-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56748356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).