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

C24H21ClN4O3 — CID 53035700

IUPACN-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
SMILESCOc1ccc(C2=Nc3cccnc3N(CC(=O)NCc3ccccc3Cl)C(=O)C2)cc1
InChIInChI=1S/C24H21ClN4O3/c1-32-18-10-8-16(9-11-18)21-13-23(31)29(24-20(28-21)7-4-12-26-24)15-22(30)27-14-17-5-2-3-6-19(17)25/h2-12H,13-15H2,1H3,(H,27,30)
InChIKeyDCKUYGSAFSXYEL-UHFFFAOYSA-N
MW448.91 g/mol
LogP3.92
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide (PubChem CID 53035700) has the molecular formula C24H21ClN4O3 and a molecular weight of 448.91 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
PubChem CID53035700
Molecular FormulaC24H21ClN4O3
Molecular Weight448.91 g/mol
Exact Mass448.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
SMILESCOc1ccc(C2=Nc3cccnc3N(CC(=O)NCc3ccccc3Cl)C(=O)C2)cc1
InChIInChI=1S/C24H21ClN4O3/c1-32-18-10-8-16(9-11-18)21-13-23(31)29(24-20(28-21)7-4-12-26-24)15-22(30)27-14-17-5-2-3-6-19(17)25/h2-12H,13-15H2,1H3,(H,27,30)
InChIKeyDCKUYGSAFSXYEL-UHFFFAOYSA-N
XLogP3.92
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
N-[(4-methoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 53029065
N-[(4-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 53029066
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-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 53043579
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-(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
N-(2-ethyl-6-methylphenyl)-2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53035683
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-(4-oxo-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-5-yl)acetamide
CID 53035656

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide (CID 53035700) is N-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide is COc1ccc(C2=Nc3cccnc3N(CC(=O)NCc3ccccc3Cl)C(=O)C2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide?
The InChIKey is DCKUYGSAFSXYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3/c1-32-18-10-8-16(9-11-18)21-13-23(31)29(24-20(28-21)7-4-12-26-24)15-22(30)27-14-17-5-2-3-6-19(17)25/h2-12H,13-15H2,1H3,(H,27,30).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide has a molecular weight of 448.91 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide is sourced from PubChem (CID 53035700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).