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

C22H21Cl2N3O2 — CID 127028741

IUPAC2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
SMILESO=C(Cn1cccc(NCc2ccccc2)c1=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H21Cl2N3O2/c23-18-9-8-17(19(24)13-18)10-11-25-21(28)15-27-12-4-7-20(22(27)29)26-14-16-5-2-1-3-6-16/h1-9,12-13,26H,10-11,14-15H2,(H,25,28)
InChIKeySQQFZRWVMLCPIT-UHFFFAOYSA-N
MW430.34 g/mol
LogP4.13
Rot. Bonds8

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

2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide (PubChem CID 127028741) 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-(2,4-dichlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
PubChem CID127028741
Molecular FormulaC22H21Cl2N3O2
Molecular Weight430.34 g/mol
Exact Mass429.10
IUPAC Name2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
SMILESO=C(Cn1cccc(NCc2ccccc2)c1=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H21Cl2N3O2/c23-18-9-8-17(19(24)13-18)10-11-25-21(28)15-27-12-4-7-20(22(27)29)26-14-16-5-2-1-3-6-16/h1-9,12-13,26H,10-11,14-15H2,(H,25,28)
InChIKeySQQFZRWVMLCPIT-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ambenonium Chloride
CID 8288
Ambenonium
CID 2131
4-chloro-N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]benzenecarboxamide
CID 3554910
1-((2,4-Dichlorophenyl)methyl)-N-ethyl-1,6-dihydro-6-oxo-3-pyridinecarboxamide
CID 2764863
Ammonium, (oxalylbis(iminoethylene))bis((o-chlorobenzyl)dimethyl-, dichloride
CID 24833568
2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 2441640
N-benzyl-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 4879874
N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]acetamide
CID 3828707
2-chloro-N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]benzenecarboxamide
CID 4261504
N-(2,4-Dichloro-benzyl)-6-hydroxy-nicotinamide
CID 7545432
2,5-Bis[6-[(2-chlorophenyl)methyl-ethylamino]hexylamino]cyclohexa-2,5-diene-1,4-dione
CID 10032088
1-[(2,4-Dichlorophenyl)methyl]-1,6-dihydro-6-oxo-3-pyridinecarboxamide
CID 2764876

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide (CID 127028741) is 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide is O=C(Cn1cccc(NCc2ccccc2)c1=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
The InChIKey is SQQFZRWVMLCPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O2/c23-18-9-8-17(19(24)13-18)10-11-25-21(28)15-27-12-4-7-20(22(27)29)26-14-16-5-2-1-3-6-16/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-(2,4-dichlorophenyl)ethyl]acetamide?
2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(2,4-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-(2,4-dichlorophenyl)ethyl]acetamide is sourced from PubChem (CID 127028741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).