N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide

C18H19BrN4O4 — CID 6852206

IUPACN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide
SMILESCCOc1nc(NC(=O)Cc2cc(OC)c(Br)cc2OC)cc(N)c1C#N
InChIInChI=1S/C18H19BrN4O4/c1-4-27-18-11(9-20)13(21)8-16(23-18)22-17(24)6-10-5-15(26-3)12(19)7-14(10)25-2/h5,7-8H,4,6H2,1-3H3,(H3,21,22,23,24)
InChIKeyGKODDLYLEKSDJL-UHFFFAOYSA-N
MW435.28 g/mol
LogP2.90
Rot. Bonds7

About N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide

N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide (PubChem CID 6852206) has the molecular formula C18H19BrN4O4 and a molecular weight of 435.28 g/mol. Its IUPAC name is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide
PubChem CID6852206
Molecular FormulaC18H19BrN4O4
Molecular Weight435.28 g/mol
Exact Mass434.06
IUPAC NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide
SMILESCCOc1nc(NC(=O)Cc2cc(OC)c(Br)cc2OC)cc(N)c1C#N
InChIInChI=1S/C18H19BrN4O4/c1-4-27-18-11(9-20)13(21)8-16(23-18)22-17(24)6-10-5-15(26-3)12(19)7-14(10)25-2/h5,7-8H,4,6H2,1-3H3,(H3,21,22,23,24)
InChIKeyGKODDLYLEKSDJL-UHFFFAOYSA-N
XLogP2.90
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.28
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-bromo-2,5-dimethoxyphenyl)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-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide?
The IUPAC name of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide (CID 6852206) is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide is CCOc1nc(NC(=O)Cc2cc(OC)c(Br)cc2OC)cc(N)c1C#N.
What is the InChIKey of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide?
The InChIKey is GKODDLYLEKSDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O4/c1-4-27-18-11(9-20)13(21)8-16(23-18)22-17(24)6-10-5-15(26-3)12(19)7-14(10)25-2/h5,7-8H,4,6H2,1-3H3,(H3,21,22,23,24).
What are the key properties of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide?
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide has a molecular weight of 435.28 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 6852206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).