2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(3,4-dichlorophenyl)ethyl]acetamide

C22H21Cl2N3O2 — CID 127028740

IUPAC2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(3,4-dichlorophenyl)ethyl]acetamide
SMILESO=C(Cn1cccc(NCc2ccccc2)c1=O)NCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H21Cl2N3O2/c23-18-9-8-16(13-19(18)24)10-11-25-21(28)15-27-12-4-7-20(22(27)29)26-14-17-5-2-1-3-6-17/h1-9,12-13,26H,10-11,14-15H2,(H,25,28)
InChIKeyLIHZKVCNJGYGDW-UHFFFAOYSA-N
MW430.34 g/mol
LogP4.13
Rot. Bonds8

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

2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(3,4-dichlorophenyl)ethyl]acetamide (PubChem CID 127028740) has the molecular formula C22H21Cl2N3O2 and a molecular weight of 430.34 g/mol. Its IUPAC name is 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(3,4-dichlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(3,4-dichlorophenyl)ethyl]acetamide
PubChem CID127028740
Molecular FormulaC22H21Cl2N3O2
Molecular Weight430.34 g/mol
Exact Mass429.10
IUPAC Name2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(3,4-dichlorophenyl)ethyl]acetamide
SMILESO=C(Cn1cccc(NCc2ccccc2)c1=O)NCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H21Cl2N3O2/c23-18-9-8-16(13-19(18)24)10-11-25-21(28)15-27-12-4-7-20(22(27)29)26-14-17-5-2-1-3-6-17/h1-9,12-13,26H,10-11,14-15H2,(H,25,28)
InChIKeyLIHZKVCNJGYGDW-UHFFFAOYSA-N
XLogP4.13
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(3,4-dichlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(3,4-dichlorophenyl)ethyl]acetamide (CID 127028740) is 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(3,4-dichlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(3,4-dichlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(3,4-dichlorophenyl)ethyl]acetamide is O=C(Cn1cccc(NCc2ccccc2)c1=O)NCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(3,4-dichlorophenyl)ethyl]acetamide?
The InChIKey is LIHZKVCNJGYGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O2/c23-18-9-8-16(13-19(18)24)10-11-25-21(28)15-27-12-4-7-20(22(27)29)26-14-17-5-2-1-3-6-17/h1-9,12-13,26H,10-11,14-15H2,(H,25,28).
What are the key properties of 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(3,4-dichlorophenyl)ethyl]acetamide?
2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(3,4-dichlorophenyl)ethyl]acetamide has a molecular weight of 430.34 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(3,4-dichlorophenyl)ethyl]acetamide is sourced from PubChem (CID 127028740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).