2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid

C24H24N4O6 — CID 171339557

IUPAC2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid
SMILESCOc1ccc(-c2cc(-c3ccccc3OCC(N)=O)nc(N)c2C#N)c(OC)c1C.O=CO
InChIInChI=1S/C23H22N4O4.CH2O2/c1-13-19(29-2)9-8-14(22(13)30-3)16-10-18(27-23(26)17(16)11-24)15-6-4-5-7-20(15)31-12-21(25)28;2-1-3/h4-10H,12H2,1-3H3,(H2,25,28)(H2,26,27);1H,(H,2,3)
InChIKeyFODMZRGKWAZAHL-UHFFFAOYSA-N
MW464.48 g/mol
LogP2.76
Rot. Bonds7

About 2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid

2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid (PubChem CID 171339557) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is 2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid.

Molecular Properties

Compound Name2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid
PubChem CID171339557
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC Name2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid
SMILESCOc1ccc(-c2cc(-c3ccccc3OCC(N)=O)nc(N)c2C#N)c(OC)c1C.O=CO
InChIInChI=1S/C23H22N4O4.CH2O2/c1-13-19(29-2)9-8-14(22(13)30-3)16-10-18(27-23(26)17(16)11-24)15-6-4-5-7-20(15)31-12-21(25)28;2-1-3/h4-10H,12H2,1-3H3,(H2,25,28)(H2,26,27);1H,(H,2,3)
InChIKeyFODMZRGKWAZAHL-UHFFFAOYSA-N
XLogP2.76
TPSA170.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid 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 2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid?
The IUPAC name of 2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid (CID 171339557) is 2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid.
What is the SMILES notation for 2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid?
The canonical SMILES for 2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid is COc1ccc(-c2cc(-c3ccccc3OCC(N)=O)nc(N)c2C#N)c(OC)c1C.O=CO.
What is the InChIKey of 2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid?
The InChIKey is FODMZRGKWAZAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4.CH2O2/c1-13-19(29-2)9-8-14(22(13)30-3)16-10-18(27-23(26)17(16)11-24)15-6-4-5-7-20(15)31-12-21(25)28;2-1-3/h4-10H,12H2,1-3H3,(H2,25,28)(H2,26,27);1H,(H,2,3).
What are the key properties of 2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid?
2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid has a molecular weight of 464.48 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid is sourced from PubChem (CID 171339557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).