N-[4-(3-bromophenyl)-3-cyano-6-(2-methylpropyl)-2-pyridinyl]acetamide

C18H18BrN3O — CID 1113508

IUPACN-[4-(3-bromophenyl)-3-cyano-6-(2-methylpropyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1nc(CC(C)C)cc(-c2cccc(Br)c2)c1C#N
InChIInChI=1S/C18H18BrN3O/c1-11(2)7-15-9-16(13-5-4-6-14(19)8-13)17(10-20)18(22-15)21-12(3)23/h4-6,8-9,11H,7H2,1-3H3,(H,21,22,23)
InChIKeyMUHYTMAOZGWJNX-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.54
Rot. Bonds4

About N-[4-(3-bromophenyl)-3-cyano-6-(2-methylpropyl)-2-pyridinyl]acetamide

N-[4-(3-bromophenyl)-3-cyano-6-(2-methylpropyl)-2-pyridinyl]acetamide (PubChem CID 1113508) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-3-cyano-6-(2-methylpropyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-bromophenyl)-3-cyano-6-(2-methylpropyl)-2-pyridinyl]acetamide
PubChem CID1113508
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC NameN-[4-(3-bromophenyl)-3-cyano-6-(2-methylpropyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1nc(CC(C)C)cc(-c2cccc(Br)c2)c1C#N
InChIInChI=1S/C18H18BrN3O/c1-11(2)7-15-9-16(13-5-4-6-14(19)8-13)17(10-20)18(22-15)21-12(3)23/h4-6,8-9,11H,7H2,1-3H3,(H,21,22,23)
InChIKeyMUHYTMAOZGWJNX-UHFFFAOYSA-N
XLogP4.54
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(3-bromophenyl)-3-cyano-6-(2-methylpropyl)-2-pyridinyl]acetamide 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 N-[4-(3-bromophenyl)-3-cyano-6-(2-methylpropyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(3-bromophenyl)-3-cyano-6-(2-methylpropyl)-2-pyridinyl]acetamide (CID 1113508) is N-[4-(3-bromophenyl)-3-cyano-6-(2-methylpropyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(3-bromophenyl)-3-cyano-6-(2-methylpropyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(3-bromophenyl)-3-cyano-6-(2-methylpropyl)-2-pyridinyl]acetamide is CC(=O)Nc1nc(CC(C)C)cc(-c2cccc(Br)c2)c1C#N.
What is the InChIKey of N-[4-(3-bromophenyl)-3-cyano-6-(2-methylpropyl)-2-pyridinyl]acetamide?
The InChIKey is MUHYTMAOZGWJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c1-11(2)7-15-9-16(13-5-4-6-14(19)8-13)17(10-20)18(22-15)21-12(3)23/h4-6,8-9,11H,7H2,1-3H3,(H,21,22,23).
What are the key properties of N-[4-(3-bromophenyl)-3-cyano-6-(2-methylpropyl)-2-pyridinyl]acetamide?
N-[4-(3-bromophenyl)-3-cyano-6-(2-methylpropyl)-2-pyridinyl]acetamide has a molecular weight of 372.27 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromophenyl)-3-cyano-6-(2-methylpropyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 1113508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).