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

C17H17N5O — CID 56878981

IUPAC2-amino-4-(5-ethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCCc1ccc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)o1
InChIInChI=1S/C17H17N5O/c1-4-12-5-6-14(23-12)15-10(2)16(11-8-20-22(3)9-11)21-17(19)13(15)7-18/h5-6,8-9H,4H2,1-3H3,(H2,19,21)
InChIKeyWMLYWWUSBIPUQH-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.07
Rot. Bonds3

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

2-amino-4-(5-ethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile (PubChem CID 56878981) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-amino-4-(5-ethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-ethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile
PubChem CID56878981
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-amino-4-(5-ethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCCc1ccc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)o1
InChIInChI=1S/C17H17N5O/c1-4-12-5-6-14(23-12)15-10(2)16(11-8-20-22(3)9-11)21-17(19)13(15)7-18/h5-6,8-9H,4H2,1-3H3,(H2,19,21)
InChIKeyWMLYWWUSBIPUQH-UHFFFAOYSA-N
XLogP3.07
TPSA93.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-ethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-ethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile (CID 56878981) is 2-amino-4-(5-ethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-ethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-ethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile is CCc1ccc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)o1.
What is the InChIKey of 2-amino-4-(5-ethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile?
The InChIKey is WMLYWWUSBIPUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-4-12-5-6-14(23-12)15-10(2)16(11-8-20-22(3)9-11)21-17(19)13(15)7-18/h5-6,8-9H,4H2,1-3H3,(H2,19,21).
What are the key properties of 2-amino-4-(5-ethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile?
2-amino-4-(5-ethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile has a molecular weight of 307.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-ethylfuran-2-yl)-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56878981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).