2-amino-N-(5-fluoro-4-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-3-(4-methylphenyl)propanamide

C22H21F2N3O2 — CID 123887796

IUPAC2-amino-N-(5-fluoro-4-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-3-(4-methylphenyl)propanamide
SMILESCOc1c(F)cncc1NC(=O)C(N)C(c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H21F2N3O2/c1-13-3-5-14(6-4-13)19(15-7-9-16(23)10-8-15)20(25)22(28)27-18-12-26-11-17(24)21(18)29-2/h3-12,19-20H,25H2,1-2H3,(H,27,28)
InChIKeyXBBNRJVJJJJOIX-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.77
Rot. Bonds6

About 2-amino-N-(5-fluoro-4-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-3-(4-methylphenyl)propanamide

2-amino-N-(5-fluoro-4-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-3-(4-methylphenyl)propanamide (PubChem CID 123887796) has the molecular formula C22H21F2N3O2 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-amino-N-(5-fluoro-4-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(5-fluoro-4-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-3-(4-methylphenyl)propanamide
PubChem CID123887796
Molecular FormulaC22H21F2N3O2
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name2-amino-N-(5-fluoro-4-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-3-(4-methylphenyl)propanamide
SMILESCOc1c(F)cncc1NC(=O)C(N)C(c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H21F2N3O2/c1-13-3-5-14(6-4-13)19(15-7-9-16(23)10-8-15)20(25)22(28)27-18-12-26-11-17(24)21(18)29-2/h3-12,19-20H,25H2,1-2H3,(H,27,28)
InChIKeyXBBNRJVJJJJOIX-UHFFFAOYSA-N
XLogP3.77
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(5-fluoro-4-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-3-(4-methylphenyl)propanamide 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-amino-N-(5-fluoro-4-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of 2-amino-N-(5-fluoro-4-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-3-(4-methylphenyl)propanamide (CID 123887796) is 2-amino-N-(5-fluoro-4-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(5-fluoro-4-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for 2-amino-N-(5-fluoro-4-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-3-(4-methylphenyl)propanamide is COc1c(F)cncc1NC(=O)C(N)C(c1ccc(C)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-amino-N-(5-fluoro-4-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-3-(4-methylphenyl)propanamide?
The InChIKey is XBBNRJVJJJJOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O2/c1-13-3-5-14(6-4-13)19(15-7-9-16(23)10-8-15)20(25)22(28)27-18-12-26-11-17(24)21(18)29-2/h3-12,19-20H,25H2,1-2H3,(H,27,28).
What are the key properties of 2-amino-N-(5-fluoro-4-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-3-(4-methylphenyl)propanamide?
2-amino-N-(5-fluoro-4-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-3-(4-methylphenyl)propanamide has a molecular weight of 397.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-fluoro-4-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 123887796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).