2-[2-(3-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide

C22H17ClN4O2 — CID 53035751

IUPAC2-[2-(3-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide
SMILESO=C(CN1C(=O)CC(c2cccc(Cl)c2)=Nc2cccnc21)Nc1ccccc1
InChIInChI=1S/C22H17ClN4O2/c23-16-7-4-6-15(12-16)19-13-21(29)27(22-18(26-19)10-5-11-24-22)14-20(28)25-17-8-2-1-3-9-17/h1-12H,13-14H2,(H,25,28)
InChIKeyMEEUQHDSYNWFKY-UHFFFAOYSA-N
MW404.86 g/mol
LogP4.23
Rot. Bonds4

About 2-[2-(3-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide

2-[2-(3-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide (PubChem CID 53035751) has the molecular formula C22H17ClN4O2 and a molecular weight of 404.86 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide
PubChem CID53035751
Molecular FormulaC22H17ClN4O2
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC Name2-[2-(3-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide
SMILESO=C(CN1C(=O)CC(c2cccc(Cl)c2)=Nc2cccnc21)Nc1ccccc1
InChIInChI=1S/C22H17ClN4O2/c23-16-7-4-6-15(12-16)19-13-21(29)27(22-18(26-19)10-5-11-24-22)14-20(28)25-17-8-2-1-3-9-17/h1-12H,13-14H2,(H,25,28)
InChIKeyMEEUQHDSYNWFKY-UHFFFAOYSA-N
XLogP4.23
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide 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

N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53035738
2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluorophenyl)acetamide
CID 53035815
N-(3-ethylphenyl)-2-[2-(4-methylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53035710
2-[2-(4-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 53010690
2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 53109253
N-(2-ethyl-6-methylphenyl)-2-(4-oxo-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-5-yl)acetamide
CID 53035656
2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53035820
N-(2-bromophenyl)-2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53109258
2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 53109283
2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 53035679
N-(5-chloro-2-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53035799
N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53035704

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide (CID 53035751) is 2-[2-(3-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide is O=C(CN1C(=O)CC(c2cccc(Cl)c2)=Nc2cccnc21)Nc1ccccc1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide?
The InChIKey is MEEUQHDSYNWFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2/c23-16-7-4-6-15(12-16)19-13-21(29)27(22-18(26-19)10-5-11-24-22)14-20(28)25-17-8-2-1-3-9-17/h1-12H,13-14H2,(H,25,28).
What are the key properties of 2-[2-(3-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide?
2-[2-(3-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide has a molecular weight of 404.86 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 53035751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).