2-amino-4-(furan-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile

C17H17N5O — CID 56877211

IUPAC2-amino-4-(furan-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCCCn1cc(-c2cc(-c3ccoc3)c(C#N)c(N)n2)c(C)n1
InChIInChI=1S/C17H17N5O/c1-3-5-22-9-15(11(2)21-22)16-7-13(12-4-6-23-10-12)14(8-18)17(19)20-16/h4,6-7,9-10H,3,5H2,1-2H3,(H2,19,20)
InChIKeyLXANSLYJONZTIX-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.38
Rot. Bonds4

About 2-amino-4-(furan-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile

2-amino-4-(furan-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile (PubChem CID 56877211) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-amino-4-(furan-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(furan-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile
PubChem CID56877211
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-amino-4-(furan-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCCCn1cc(-c2cc(-c3ccoc3)c(C#N)c(N)n2)c(C)n1
InChIInChI=1S/C17H17N5O/c1-3-5-22-9-15(11(2)21-22)16-7-13(12-4-6-23-10-12)14(8-18)17(19)20-16/h4,6-7,9-10H,3,5H2,1-2H3,(H2,19,20)
InChIKeyLXANSLYJONZTIX-UHFFFAOYSA-N
XLogP3.38
TPSA93.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(furan-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile (CID 56877211) is 2-amino-4-(furan-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(furan-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(furan-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile is CCCn1cc(-c2cc(-c3ccoc3)c(C#N)c(N)n2)c(C)n1.
What is the InChIKey of 2-amino-4-(furan-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile?
The InChIKey is LXANSLYJONZTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-3-5-22-9-15(11(2)21-22)16-7-13(12-4-6-23-10-12)14(8-18)17(19)20-16/h4,6-7,9-10H,3,5H2,1-2H3,(H2,19,20).
What are the key properties of 2-amino-4-(furan-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile?
2-amino-4-(furan-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile has a molecular weight of 307.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56877211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).