2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide

C25H22ClN3O3 — CID 25143721

IUPAC2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
SMILESCOc1cc(NC(=O)C(=O)c2c(C)n(Cc3ccc(Cl)cc3)c3ccc(C)cc23)ccn1
InChIInChI=1S/C25H22ClN3O3/c1-15-4-9-21-20(12-15)23(16(2)29(21)14-17-5-7-18(26)8-6-17)24(30)25(31)28-19-10-11-27-22(13-19)32-3/h4-13H,14H2,1-3H3,(H,27,28,31)
InChIKeyRIKZRSJVZWKHNX-UHFFFAOYSA-N
MW447.92 g/mol
LogP5.18
Rot. Bonds6

About 2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide

2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide (PubChem CID 25143721) has the molecular formula C25H22ClN3O3 and a molecular weight of 447.92 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
PubChem CID25143721
Molecular FormulaC25H22ClN3O3
Molecular Weight447.92 g/mol
Exact Mass447.13
IUPAC Name2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
SMILESCOc1cc(NC(=O)C(=O)c2c(C)n(Cc3ccc(Cl)cc3)c3ccc(C)cc23)ccn1
InChIInChI=1S/C25H22ClN3O3/c1-15-4-9-21-20(12-15)23(16(2)29(21)14-17-5-7-18(26)8-6-17)24(30)25(31)28-19-10-11-27-22(13-19)32-3/h4-13H,14H2,1-3H3,(H,27,28,31)
InChIKeyRIKZRSJVZWKHNX-UHFFFAOYSA-N
XLogP5.18
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.92
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide with MolForge

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Related Compounds

Indibulin
CID 2929
N-(3-Pyridyl)indomethacin Amide
CID 4434869
Indomethacin-amide derivative, 20
CID 4295
Indomethacin-amide derivative, 14
CID 4963667
Indomethacin-amide derivative, 15
CID 42618094
Indomethacin-amide derivative, 19
CID 42618095
Indomethacin-amide derivative, 18
CID 42618096
2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 10664084
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methyl-1,2-oxazol-5-yl)-2-oxoacetamide
CID 23397126
N-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 44597967
2-(6-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 54771136
1-(6-chloro-1H-indol-3-yl)-2-((3-methoxyphenyl)amino)-2-phenylethanone
CID 86728746

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide (CID 25143721) is 2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide is COc1cc(NC(=O)C(=O)c2c(C)n(Cc3ccc(Cl)cc3)c3ccc(C)cc23)ccn1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
The InChIKey is RIKZRSJVZWKHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3/c1-15-4-9-21-20(12-15)23(16(2)29(21)14-17-5-7-18(26)8-6-17)24(30)25(31)28-19-10-11-27-22(13-19)32-3/h4-13H,14H2,1-3H3,(H,27,28,31).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide has a molecular weight of 447.92 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 25143721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).