2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide

C26H26N4O3 — CID 53035679

IUPAC2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3c(C)cc(C)cc3C)C(=O)C2)c1
InChIInChI=1S/C26H26N4O3/c1-16-11-17(2)25(18(3)12-16)29-23(31)15-30-24(32)14-22(19-7-5-8-20(13-19)33-4)28-21-9-6-10-27-26(21)30/h5-13H,14-15H2,1-4H3,(H,29,31)
InChIKeyLEYSICYBIKISKA-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.51
Rot. Bonds5

About 2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 53035679) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID53035679
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3c(C)cc(C)cc3C)C(=O)C2)c1
InChIInChI=1S/C26H26N4O3/c1-16-11-17(2)25(18(3)12-16)29-23(31)15-30-24(32)14-22(19-7-5-8-20(13-19)33-4)28-21-9-6-10-27-26(21)30/h5-13H,14-15H2,1-4H3,(H,29,31)
InChIKeyLEYSICYBIKISKA-UHFFFAOYSA-N
XLogP4.51
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53035683
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-bromophenyl)-2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53109258
2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 98254979
2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 53043579
N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53035704
N-(2-ethyl-6-methylphenyl)-2-(4-oxo-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-5-yl)acetamide
CID 53035656
N-[(3-methoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53109295
N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53109277
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-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide
CID 53035751
2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluorophenyl)acetamide
CID 53035815

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 53035679) is 2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide is COc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3c(C)cc(C)cc3C)C(=O)C2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is LEYSICYBIKISKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-16-11-17(2)25(18(3)12-16)29-23(31)15-30-24(32)14-22(19-7-5-8-20(13-19)33-4)28-21-9-6-10-27-26(21)30/h5-13H,14-15H2,1-4H3,(H,29,31).
What are the key properties of 2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 442.52 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 53035679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).