2-[(3,4-dichlorophenyl)methyl-(6-oxo-1H-pyridine-2-carbonyl)amino]propyl acetate

C18H18Cl2N2O4 — CID 118084112

IUPAC2-[(3,4-dichlorophenyl)methyl-(6-oxo-1H-pyridine-2-carbonyl)amino]propyl acetate
SMILESCC(=O)OCC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C18H18Cl2N2O4/c1-11(10-26-12(2)23)22(9-13-6-7-14(19)15(20)8-13)18(25)16-4-3-5-17(24)21-16/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyOZBYOLUXMBHEBU-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.28
Rot. Bonds6

About 2-[(3,4-dichlorophenyl)methyl-(6-oxo-1H-pyridine-2-carbonyl)amino]propyl acetate

2-[(3,4-dichlorophenyl)methyl-(6-oxo-1H-pyridine-2-carbonyl)amino]propyl acetate (PubChem CID 118084112) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl-(6-oxo-1H-pyridine-2-carbonyl)amino]propyl acetate.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl-(6-oxo-1H-pyridine-2-carbonyl)amino]propyl acetate
PubChem CID118084112
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC Name2-[(3,4-dichlorophenyl)methyl-(6-oxo-1H-pyridine-2-carbonyl)amino]propyl acetate
SMILESCC(=O)OCC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C18H18Cl2N2O4/c1-11(10-26-12(2)23)22(9-13-6-7-14(19)15(20)8-13)18(25)16-4-3-5-17(24)21-16/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyOZBYOLUXMBHEBU-UHFFFAOYSA-N
XLogP3.28
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl-(6-oxo-1H-pyridine-2-carbonyl)amino]propyl acetate?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl-(6-oxo-1H-pyridine-2-carbonyl)amino]propyl acetate (CID 118084112) is 2-[(3,4-dichlorophenyl)methyl-(6-oxo-1H-pyridine-2-carbonyl)amino]propyl acetate.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl-(6-oxo-1H-pyridine-2-carbonyl)amino]propyl acetate?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl-(6-oxo-1H-pyridine-2-carbonyl)amino]propyl acetate is CC(=O)OCC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(=O)[nH]1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl-(6-oxo-1H-pyridine-2-carbonyl)amino]propyl acetate?
The InChIKey is OZBYOLUXMBHEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-11(10-26-12(2)23)22(9-13-6-7-14(19)15(20)8-13)18(25)16-4-3-5-17(24)21-16/h3-8,11H,9-10H2,1-2H3,(H,21,24).
What are the key properties of 2-[(3,4-dichlorophenyl)methyl-(6-oxo-1H-pyridine-2-carbonyl)amino]propyl acetate?
2-[(3,4-dichlorophenyl)methyl-(6-oxo-1H-pyridine-2-carbonyl)amino]propyl acetate has a molecular weight of 397.26 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl-(6-oxo-1H-pyridine-2-carbonyl)amino]propyl acetate is sourced from PubChem (CID 118084112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).