2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-[5-(hydroxymethyl)furan-2-yl]pyridine-3-carbonitrile

C18H19N5O2 — CID 56869381

IUPAC2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-[5-(hydroxymethyl)furan-2-yl]pyridine-3-carbonitrile
SMILESCCn1nc(C)c(-c2cc(-c3ccc(CO)o3)c(C#N)c(N)n2)c1C
InChIInChI=1S/C18H19N5O2/c1-4-23-11(3)17(10(2)22-23)15-7-13(14(8-19)18(20)21-15)16-6-5-12(9-24)25-16/h5-7,24H,4,9H2,1-3H3,(H2,20,21)
InChIKeyHIXJHNKYDGRLOG-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.79
Rot. Bonds4

About 2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-[5-(hydroxymethyl)furan-2-yl]pyridine-3-carbonitrile

2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-[5-(hydroxymethyl)furan-2-yl]pyridine-3-carbonitrile (PubChem CID 56869381) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-[5-(hydroxymethyl)furan-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-[5-(hydroxymethyl)furan-2-yl]pyridine-3-carbonitrile
PubChem CID56869381
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-[5-(hydroxymethyl)furan-2-yl]pyridine-3-carbonitrile
SMILESCCn1nc(C)c(-c2cc(-c3ccc(CO)o3)c(C#N)c(N)n2)c1C
InChIInChI=1S/C18H19N5O2/c1-4-23-11(3)17(10(2)22-23)15-7-13(14(8-19)18(20)21-15)16-6-5-12(9-24)25-16/h5-7,24H,4,9H2,1-3H3,(H2,20,21)
InChIKeyHIXJHNKYDGRLOG-UHFFFAOYSA-N
XLogP2.79
TPSA113.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-[5-(hydroxymethyl)furan-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-[5-(hydroxymethyl)furan-2-yl]pyridine-3-carbonitrile (CID 56869381) is 2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-[5-(hydroxymethyl)furan-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-[5-(hydroxymethyl)furan-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-[5-(hydroxymethyl)furan-2-yl]pyridine-3-carbonitrile is CCn1nc(C)c(-c2cc(-c3ccc(CO)o3)c(C#N)c(N)n2)c1C.
What is the InChIKey of 2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-[5-(hydroxymethyl)furan-2-yl]pyridine-3-carbonitrile?
The InChIKey is HIXJHNKYDGRLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-4-23-11(3)17(10(2)22-23)15-7-13(14(8-19)18(20)21-15)16-6-5-12(9-24)25-16/h5-7,24H,4,9H2,1-3H3,(H2,20,21).
What are the key properties of 2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-[5-(hydroxymethyl)furan-2-yl]pyridine-3-carbonitrile?
2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-[5-(hydroxymethyl)furan-2-yl]pyridine-3-carbonitrile has a molecular weight of 337.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-[5-(hydroxymethyl)furan-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56869381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).