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

C23H19BrN4O3 — CID 53109258

IUPACN-(2-bromophenyl)-2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
SMILESCOc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3ccccc3Br)C(=O)C2)c1
InChIInChI=1S/C23H19BrN4O3/c1-31-16-7-4-6-15(12-16)20-13-22(30)28(23-19(26-20)10-5-11-25-23)14-21(29)27-18-9-3-2-8-17(18)24/h2-12H,13-14H2,1H3,(H,27,29)
InChIKeyWYVKIOPJFBPEPH-UHFFFAOYSA-N
MW479.33 g/mol
LogP4.35
Rot. Bonds5

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

N-(2-bromophenyl)-2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide (PubChem CID 53109258) has the molecular formula C23H19BrN4O3 and a molecular weight of 479.33 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
PubChem CID53109258
Molecular FormulaC23H19BrN4O3
Molecular Weight479.33 g/mol
Exact Mass478.06
IUPAC NameN-(2-bromophenyl)-2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
SMILESCOc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3ccccc3Br)C(=O)C2)c1
InChIInChI=1S/C23H19BrN4O3/c1-31-16-7-4-6-15(12-16)20-13-22(30)28(23-19(26-20)10-5-11-25-23)14-21(29)27-18-9-3-2-8-17(18)24/h2-12H,13-14H2,1H3,(H,27,29)
InChIKeyWYVKIOPJFBPEPH-UHFFFAOYSA-N
XLogP4.35
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.33
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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-[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-[(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-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53109277
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-(3-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide
CID 53035751
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-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 53109283
N-(2-ethyl-6-methylphenyl)-2-(4-oxo-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-5-yl)acetamide
CID 53035656
N-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53035700

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide (CID 53109258) is N-(2-bromophenyl)-2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide is COc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3ccccc3Br)C(=O)C2)c1.
What is the InChIKey of N-(2-bromophenyl)-2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide?
The InChIKey is WYVKIOPJFBPEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4O3/c1-31-16-7-4-6-15(12-16)20-13-22(30)28(23-19(26-20)10-5-11-25-23)14-21(29)27-18-9-3-2-8-17(18)24/h2-12H,13-14H2,1H3,(H,27,29).
What are the key properties of N-(2-bromophenyl)-2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide?
N-(2-bromophenyl)-2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide has a molecular weight of 479.33 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide is sourced from PubChem (CID 53109258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).