2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile

C16H15N5O2 — CID 56878127

IUPAC2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(CO)o1
InChIInChI=1S/C16H15N5O2/c1-9-14(13-4-3-11(8-22)23-13)12(5-17)16(18)20-15(9)10-6-19-21(2)7-10/h3-4,6-7,22H,8H2,1-2H3,(H2,18,20)
InChIKeyRYDNPNBLHUOXON-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.00
Rot. Bonds3

About 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile

2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile (PubChem CID 56878127) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile
PubChem CID56878127
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(CO)o1
InChIInChI=1S/C16H15N5O2/c1-9-14(13-4-3-11(8-22)23-13)12(5-17)16(18)20-15(9)10-6-19-21(2)7-10/h3-4,6-7,22H,8H2,1-2H3,(H2,18,20)
InChIKeyRYDNPNBLHUOXON-UHFFFAOYSA-N
XLogP2.00
TPSA113.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile (CID 56878127) is 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile is Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(CO)o1.
What is the InChIKey of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile?
The InChIKey is RYDNPNBLHUOXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-9-14(13-4-3-11(8-22)23-13)12(5-17)16(18)20-15(9)10-6-19-21(2)7-10/h3-4,6-7,22H,8H2,1-2H3,(H2,18,20).
What are the key properties of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile?
2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile has a molecular weight of 309.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56878127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).