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

C21H19Cl2N3O2 — CID 127029041

IUPACN-benzyl-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(NCc2ccc(Cl)c(Cl)c2)c1=O)NCc1ccccc1
InChIInChI=1S/C21H19Cl2N3O2/c22-17-9-8-16(11-18(17)23)13-24-19-7-4-10-26(21(19)28)14-20(27)25-12-15-5-2-1-3-6-15/h1-11,24H,12-14H2,(H,25,27)
InChIKeySBUPRSNOKJTUNX-UHFFFAOYSA-N
MW416.31 g/mol
LogP4.08
Rot. Bonds7

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

N-benzyl-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide (PubChem CID 127029041) has the molecular formula C21H19Cl2N3O2 and a molecular weight of 416.31 g/mol. Its IUPAC name is N-benzyl-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide
PubChem CID127029041
Molecular FormulaC21H19Cl2N3O2
Molecular Weight416.31 g/mol
Exact Mass415.09
IUPAC NameN-benzyl-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(NCc2ccc(Cl)c(Cl)c2)c1=O)NCc1ccccc1
InChIInChI=1S/C21H19Cl2N3O2/c22-17-9-8-16(11-18(17)23)13-24-19-7-4-10-26(21(19)28)14-20(27)25-12-15-5-2-1-3-6-15/h1-11,24H,12-14H2,(H,25,27)
InChIKeySBUPRSNOKJTUNX-UHFFFAOYSA-N
XLogP4.08
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-benzyl-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide (CID 127029041) is N-benzyl-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-benzyl-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-benzyl-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide is O=C(Cn1cccc(NCc2ccc(Cl)c(Cl)c2)c1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide?
The InChIKey is SBUPRSNOKJTUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O2/c22-17-9-8-16(11-18(17)23)13-24-19-7-4-10-26(21(19)28)14-20(27)25-12-15-5-2-1-3-6-15/h1-11,24H,12-14H2,(H,25,27).
What are the key properties of N-benzyl-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide?
N-benzyl-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide has a molecular weight of 416.31 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 127029041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).