5-bromo-1-(1-cyclopropyl-2-methylpropyl)-4-methoxy-2-oxopyridine-3-carbonitrile

C14H17BrN2O2 — CID 118690471

IUPAC5-bromo-1-(1-cyclopropyl-2-methylpropyl)-4-methoxy-2-oxopyridine-3-carbonitrile
SMILESCOc1c(Br)cn(C(C(C)C)C2CC2)c(=O)c1C#N
InChIInChI=1S/C14H17BrN2O2/c1-8(2)12(9-4-5-9)17-7-11(15)13(19-3)10(6-16)14(17)18/h7-9,12H,4-5H2,1-3H3
InChIKeyUFRTWKMAIOBWKV-UHFFFAOYSA-N
MW325.21 g/mol
LogP3.10
Rot. Bonds4

About 5-bromo-1-(1-cyclopropyl-2-methylpropyl)-4-methoxy-2-oxopyridine-3-carbonitrile

5-bromo-1-(1-cyclopropyl-2-methylpropyl)-4-methoxy-2-oxopyridine-3-carbonitrile (PubChem CID 118690471) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 5-bromo-1-(1-cyclopropyl-2-methylpropyl)-4-methoxy-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-1-(1-cyclopropyl-2-methylpropyl)-4-methoxy-2-oxopyridine-3-carbonitrile
PubChem CID118690471
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name5-bromo-1-(1-cyclopropyl-2-methylpropyl)-4-methoxy-2-oxopyridine-3-carbonitrile
SMILESCOc1c(Br)cn(C(C(C)C)C2CC2)c(=O)c1C#N
InChIInChI=1S/C14H17BrN2O2/c1-8(2)12(9-4-5-9)17-7-11(15)13(19-3)10(6-16)14(17)18/h7-9,12H,4-5H2,1-3H3
InChIKeyUFRTWKMAIOBWKV-UHFFFAOYSA-N
XLogP3.10
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-1-(1-cyclopropyl-2-methylpropyl)-4-methoxy-2-oxopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(1-cyclopropyl-2-methylpropyl)-4-methoxy-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-bromo-1-(1-cyclopropyl-2-methylpropyl)-4-methoxy-2-oxopyridine-3-carbonitrile (CID 118690471) is 5-bromo-1-(1-cyclopropyl-2-methylpropyl)-4-methoxy-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-1-(1-cyclopropyl-2-methylpropyl)-4-methoxy-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-1-(1-cyclopropyl-2-methylpropyl)-4-methoxy-2-oxopyridine-3-carbonitrile is COc1c(Br)cn(C(C(C)C)C2CC2)c(=O)c1C#N.
What is the InChIKey of 5-bromo-1-(1-cyclopropyl-2-methylpropyl)-4-methoxy-2-oxopyridine-3-carbonitrile?
The InChIKey is UFRTWKMAIOBWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-8(2)12(9-4-5-9)17-7-11(15)13(19-3)10(6-16)14(17)18/h7-9,12H,4-5H2,1-3H3.
What are the key properties of 5-bromo-1-(1-cyclopropyl-2-methylpropyl)-4-methoxy-2-oxopyridine-3-carbonitrile?
5-bromo-1-(1-cyclopropyl-2-methylpropyl)-4-methoxy-2-oxopyridine-3-carbonitrile has a molecular weight of 325.21 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(1-cyclopropyl-2-methylpropyl)-4-methoxy-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 118690471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).