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

C26H26N4O6 — CID 53109253

IUPAC2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)C(=O)C2)c1
InChIInChI=1S/C26H26N4O6/c1-33-18-8-5-7-16(11-18)20-14-24(32)30(26-19(29-20)9-6-10-27-26)15-23(31)28-17-12-21(34-2)25(36-4)22(13-17)35-3/h5-13H,14-15H2,1-4H3,(H,28,31)
InChIKeyUVKVWZPDKFFVRZ-UHFFFAOYSA-N
MW490.52 g/mol
LogP3.61
Rot. Bonds8

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

2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 53109253) has the molecular formula C26H26N4O6 and a molecular weight of 490.52 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID53109253
Molecular FormulaC26H26N4O6
Molecular Weight490.52 g/mol
Exact Mass490.19
IUPAC Name2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)C(=O)C2)c1
InChIInChI=1S/C26H26N4O6/c1-33-18-8-5-7-16(11-18)20-14-24(32)30(26-19(29-20)9-6-10-27-26)15-23(31)28-17-12-21(34-2)25(36-4)22(13-17)35-3/h5-13H,14-15H2,1-4H3,(H,28,31)
InChIKeyUVKVWZPDKFFVRZ-UHFFFAOYSA-N
XLogP3.61
TPSA111.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-(2-bromophenyl)-2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53109258
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-(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
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
N-[(3-methoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53109295
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
N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53109388
2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluorophenyl)acetamide
CID 53035815
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

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-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 53109253) is 2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)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-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is UVKVWZPDKFFVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O6/c1-33-18-8-5-7-16(11-18)20-14-24(32)30(26-19(29-20)9-6-10-27-26)15-23(31)28-17-12-21(34-2)25(36-4)22(13-17)35-3/h5-13H,14-15H2,1-4H3,(H,28,31).
What are the key properties of 2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 490.52 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 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-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 53109253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).