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

C26H25ClN4O2 — CID 53010699

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
SMILESCCc1ccc(C2=Nc3cccnc3N(CC(=O)NCCc3ccc(Cl)cc3)C(=O)C2)cc1
InChIInChI=1S/C26H25ClN4O2/c1-2-18-5-9-20(10-6-18)23-16-25(33)31(26-22(30-23)4-3-14-29-26)17-24(32)28-15-13-19-7-11-21(27)12-8-19/h3-12,14H,2,13,15-17H2,1H3,(H,28,32)
InChIKeyWFSANYXJHXFYTR-UHFFFAOYSA-N
MW460.97 g/mol
LogP4.51
Rot. Bonds7

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

N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide (PubChem CID 53010699) has the molecular formula C26H25ClN4O2 and a molecular weight of 460.97 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
PubChem CID53010699
Molecular FormulaC26H25ClN4O2
Molecular Weight460.97 g/mol
Exact Mass460.17
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
SMILESCCc1ccc(C2=Nc3cccnc3N(CC(=O)NCCc3ccc(Cl)cc3)C(=O)C2)cc1
InChIInChI=1S/C26H25ClN4O2/c1-2-18-5-9-20(10-6-18)23-16-25(33)31(26-22(30-23)4-3-14-29-26)17-24(32)28-15-13-19-7-11-21(27)12-8-19/h3-12,14H,2,13,15-17H2,1H3,(H,28,32)
InChIKeyWFSANYXJHXFYTR-UHFFFAOYSA-N
XLogP4.51
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53035799
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-(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-methoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53109295
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
2-[2-(3-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide
CID 53035751
N-(2-ethyl-6-methylphenyl)-2-(4-oxo-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-5-yl)acetamide
CID 53035656
2-[4-(3,4-dimethylphenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]-N-(2-phenylethyl)acetamide
CID 46342442
N-[(4-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 46342433
N-[(4-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 53029066
N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53035704
N-(5-chloro-2-methylphenyl)-2-[4-(4-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 20952913

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide (CID 53010699) is N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide is CCc1ccc(C2=Nc3cccnc3N(CC(=O)NCCc3ccc(Cl)cc3)C(=O)C2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide?
The InChIKey is WFSANYXJHXFYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O2/c1-2-18-5-9-20(10-6-18)23-16-25(33)31(26-22(30-23)4-3-14-29-26)17-24(32)28-15-13-19-7-11-21(27)12-8-19/h3-12,14H,2,13,15-17H2,1H3,(H,28,32).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide has a molecular weight of 460.97 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide is sourced from PubChem (CID 53010699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).