2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-[(3,4-dichlorophenyl)methyl]acetamide

C21H18Cl3N3O2 — CID 127028745

IUPAC2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-[(3,4-dichlorophenyl)methyl]acetamide
SMILESO=C(Cn1cccc(NCc2ccc(Cl)cc2)c1=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H18Cl3N3O2/c22-16-6-3-14(4-7-16)11-25-19-2-1-9-27(21(19)29)13-20(28)26-12-15-5-8-17(23)18(24)10-15/h1-10,25H,11-13H2,(H,26,28)
InChIKeyGVEFEWQLIFRMCM-UHFFFAOYSA-N
MW450.75 g/mol
LogP4.74
Rot. Bonds7

About 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-[(3,4-dichlorophenyl)methyl]acetamide

2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-[(3,4-dichlorophenyl)methyl]acetamide (PubChem CID 127028745) has the molecular formula C21H18Cl3N3O2 and a molecular weight of 450.75 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-[(3,4-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-[(3,4-dichlorophenyl)methyl]acetamide
PubChem CID127028745
Molecular FormulaC21H18Cl3N3O2
Molecular Weight450.75 g/mol
Exact Mass449.05
IUPAC Name2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-[(3,4-dichlorophenyl)methyl]acetamide
SMILESO=C(Cn1cccc(NCc2ccc(Cl)cc2)c1=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H18Cl3N3O2/c22-16-6-3-14(4-7-16)11-25-19-2-1-9-27(21(19)29)13-20(28)26-12-15-5-8-17(23)18(24)10-15/h1-10,25H,11-13H2,(H,26,28)
InChIKeyGVEFEWQLIFRMCM-UHFFFAOYSA-N
XLogP4.74
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.75
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-[(3,4-dichlorophenyl)methyl]acetamide?
The IUPAC name of 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-[(3,4-dichlorophenyl)methyl]acetamide (CID 127028745) is 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-[(3,4-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-[(3,4-dichlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-[(3,4-dichlorophenyl)methyl]acetamide is O=C(Cn1cccc(NCc2ccc(Cl)cc2)c1=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-[(3,4-dichlorophenyl)methyl]acetamide?
The InChIKey is GVEFEWQLIFRMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl3N3O2/c22-16-6-3-14(4-7-16)11-25-19-2-1-9-27(21(19)29)13-20(28)26-12-15-5-8-17(23)18(24)10-15/h1-10,25H,11-13H2,(H,26,28).
What are the key properties of 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-[(3,4-dichlorophenyl)methyl]acetamide?
2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-[(3,4-dichlorophenyl)methyl]acetamide has a molecular weight of 450.75 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-[(3,4-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 127028745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).