2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile

C19H23N7 — CID 56871083

IUPAC2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCCn1nc(C)c(-c2cc(-c3c(C)nn(C)c3C)c(C#N)c(N)n2)c1C
InChIInChI=1S/C19H23N7/c1-7-26-13(5)18(11(3)24-26)16-8-14(15(9-20)19(21)22-16)17-10(2)23-25(6)12(17)4/h8H,7H2,1-6H3,(H2,21,22)
InChIKeyFMOUJXQICWDJGO-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.05
Rot. Bonds3

About 2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile

2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile (PubChem CID 56871083) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile
PubChem CID56871083
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCCn1nc(C)c(-c2cc(-c3c(C)nn(C)c3C)c(C#N)c(N)n2)c1C
InChIInChI=1S/C19H23N7/c1-7-26-13(5)18(11(3)24-26)16-8-14(15(9-20)19(21)22-16)17-10(2)23-25(6)12(17)4/h8H,7H2,1-6H3,(H2,21,22)
InChIKeyFMOUJXQICWDJGO-UHFFFAOYSA-N
XLogP3.05
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile (CID 56871083) is 2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile is CCn1nc(C)c(-c2cc(-c3c(C)nn(C)c3C)c(C#N)c(N)n2)c1C.
What is the InChIKey of 2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile?
The InChIKey is FMOUJXQICWDJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-7-26-13(5)18(11(3)24-26)16-8-14(15(9-20)19(21)22-16)17-10(2)23-25(6)12(17)4/h8H,7H2,1-6H3,(H2,21,22).
What are the key properties of 2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile?
2-amino-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile has a molecular weight of 349.44 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 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-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56871083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).