2-amino-4-(4,5-dimethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile

C17H17N5O — CID 56861565

IUPAC2-amino-4-(4,5-dimethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCc1cc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)oc1C
InChIInChI=1S/C17H17N5O/c1-9-5-14(23-11(9)3)15-10(2)16(12-7-20-22(4)8-12)21-17(19)13(15)6-18/h5,7-8H,1-4H3,(H2,19,21)
InChIKeyODWDCVIFCWAUKW-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.12
Rot. Bonds2

About 2-amino-4-(4,5-dimethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile

2-amino-4-(4,5-dimethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile (PubChem CID 56861565) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-amino-4-(4,5-dimethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4,5-dimethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile
PubChem CID56861565
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-amino-4-(4,5-dimethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCc1cc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)oc1C
InChIInChI=1S/C17H17N5O/c1-9-5-14(23-11(9)3)15-10(2)16(12-7-20-22(4)8-12)21-17(19)13(15)6-18/h5,7-8H,1-4H3,(H2,19,21)
InChIKeyODWDCVIFCWAUKW-UHFFFAOYSA-N
XLogP3.12
TPSA93.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4,5-dimethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4,5-dimethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile (CID 56861565) is 2-amino-4-(4,5-dimethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4,5-dimethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4,5-dimethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile is Cc1cc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)oc1C.
What is the InChIKey of 2-amino-4-(4,5-dimethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile?
The InChIKey is ODWDCVIFCWAUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-9-5-14(23-11(9)3)15-10(2)16(12-7-20-22(4)8-12)21-17(19)13(15)6-18/h5,7-8H,1-4H3,(H2,19,21).
What are the key properties of 2-amino-4-(4,5-dimethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile?
2-amino-4-(4,5-dimethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile has a molecular weight of 307.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4,5-dimethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56861565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).