4-amino-6-[4-(3,5-dimethylpyrazol-1-yl)anilino]-2-oxo-1H-pyridine-3-carbonitrile

C17H16N6O — CID 70924872

IUPAC4-amino-6-[4-(3,5-dimethylpyrazol-1-yl)anilino]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(C)n(-c2ccc(Nc3cc(N)c(C#N)c(=O)[nH]3)cc2)n1
InChIInChI=1S/C17H16N6O/c1-10-7-11(2)23(22-10)13-5-3-12(4-6-13)20-16-8-15(19)14(9-18)17(24)21-16/h3-8H,1-2H3,(H4,19,20,21,24)
InChIKeyRTKDLHGBEJTGPS-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.37
Rot. Bonds3

About 4-amino-6-[4-(3,5-dimethylpyrazol-1-yl)anilino]-2-oxo-1H-pyridine-3-carbonitrile

4-amino-6-[4-(3,5-dimethylpyrazol-1-yl)anilino]-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 70924872) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 4-amino-6-[4-(3,5-dimethylpyrazol-1-yl)anilino]-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[4-(3,5-dimethylpyrazol-1-yl)anilino]-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID70924872
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name4-amino-6-[4-(3,5-dimethylpyrazol-1-yl)anilino]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(C)n(-c2ccc(Nc3cc(N)c(C#N)c(=O)[nH]3)cc2)n1
InChIInChI=1S/C17H16N6O/c1-10-7-11(2)23(22-10)13-5-3-12(4-6-13)20-16-8-15(19)14(9-18)17(24)21-16/h3-8H,1-2H3,(H4,19,20,21,24)
InChIKeyRTKDLHGBEJTGPS-UHFFFAOYSA-N
XLogP2.37
TPSA112.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[4-(3,5-dimethylpyrazol-1-yl)anilino]-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-amino-6-[4-(3,5-dimethylpyrazol-1-yl)anilino]-2-oxo-1H-pyridine-3-carbonitrile (CID 70924872) is 4-amino-6-[4-(3,5-dimethylpyrazol-1-yl)anilino]-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-6-[4-(3,5-dimethylpyrazol-1-yl)anilino]-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-6-[4-(3,5-dimethylpyrazol-1-yl)anilino]-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(C)n(-c2ccc(Nc3cc(N)c(C#N)c(=O)[nH]3)cc2)n1.
What is the InChIKey of 4-amino-6-[4-(3,5-dimethylpyrazol-1-yl)anilino]-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is RTKDLHGBEJTGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-10-7-11(2)23(22-10)13-5-3-12(4-6-13)20-16-8-15(19)14(9-18)17(24)21-16/h3-8H,1-2H3,(H4,19,20,21,24).
What are the key properties of 4-amino-6-[4-(3,5-dimethylpyrazol-1-yl)anilino]-2-oxo-1H-pyridine-3-carbonitrile?
4-amino-6-[4-(3,5-dimethylpyrazol-1-yl)anilino]-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 320.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[4-(3,5-dimethylpyrazol-1-yl)anilino]-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 70924872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).