2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide

C25H23FN4O2 — CID 53035820

IUPAC2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C)c(F)c3)C(=O)C2)cc1C
InChIInChI=1S/C25H23FN4O2/c1-15-6-8-18(11-17(15)3)22-13-24(32)30(25-21(29-22)5-4-10-27-25)14-23(31)28-19-9-7-16(2)20(26)12-19/h4-12H,13-14H2,1-3H3,(H,28,31)
InChIKeyOGCMDJIHDAXYQW-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.64
Rot. Bonds4

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

2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 53035820) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID53035820
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C)c(F)c3)C(=O)C2)cc1C
InChIInChI=1S/C25H23FN4O2/c1-15-6-8-18(11-17(15)3)22-13-24(32)30(25-21(29-22)5-4-10-27-25)14-23(31)28-19-9-7-16(2)20(26)12-19/h4-12H,13-14H2,1-3H3,(H,28,31)
InChIKeyOGCMDJIHDAXYQW-UHFFFAOYSA-N
XLogP4.64
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53035802
2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluorophenyl)acetamide
CID 53035815
N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53035704
N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53035738
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
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-[(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-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide
CID 53035751
2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 53109283
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53109313
2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 53109253

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 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) is 2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C)c(F)c3)C(=O)C2)cc1C.
What is the InChIKey of 2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is OGCMDJIHDAXYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-15-6-8-18(11-17(15)3)22-13-24(32)30(25-21(29-22)5-4-10-27-25)14-23(31)28-19-9-7-16(2)20(26)12-19/h4-12H,13-14H2,1-3H3,(H,28,31).
What are the key properties of 2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 430.48 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 53035820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).