2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide

C25H22ClN3O4 — CID 53482691

IUPAC2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
SMILESCOc1ccc2c(c1)c(C(=O)C(=O)Nc1ccc(OC)nc1)c(C)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C25H22ClN3O4/c1-15-23(24(30)25(31)28-18-8-11-22(33-3)27-13-18)20-12-19(32-2)9-10-21(20)29(15)14-16-4-6-17(26)7-5-16/h4-13H,14H2,1-3H3,(H,28,31)
InChIKeyIRXYSLNQADKCLR-UHFFFAOYSA-N
MW463.92 g/mol
LogP4.89
Rot. Bonds7

About 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide

2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide (PubChem CID 53482691) has the molecular formula C25H22ClN3O4 and a molecular weight of 463.92 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
PubChem CID53482691
Molecular FormulaC25H22ClN3O4
Molecular Weight463.92 g/mol
Exact Mass463.13
IUPAC Name2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
SMILESCOc1ccc2c(c1)c(C(=O)C(=O)Nc1ccc(OC)nc1)c(C)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C25H22ClN3O4/c1-15-23(24(30)25(31)28-18-8-11-22(33-3)27-13-18)20-12-19(32-2)9-10-21(20)29(15)14-16-4-6-17(26)7-5-16/h4-13H,14H2,1-3H3,(H,28,31)
InChIKeyIRXYSLNQADKCLR-UHFFFAOYSA-N
XLogP4.89
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.92
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144704
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 68911820
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide
CID 161243659
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide
CID 53308195
1-[(4-chlorophenyl)methyl]-3-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2-methylindole-5-carboxylic acid
CID 57386189
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 57387695
2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 53482570
2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-chlorophenyl)-2-oxoacetamide
CID 53307127
2-[1-[(4-chlorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 57405859
2-[2,5-dimethyl-1-(pyridin-4-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 118177589
2-[1-[(4-chlorophenyl)methyl]-6-methoxy-2-methylindol-3-yl]-2-oxoacetic acid
CID 67982164
2-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-3-ylacetamide;2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide
CID 87660617

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide (CID 53482691) is 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide is COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccc(OC)nc1)c(C)n2Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide?
The InChIKey is IRXYSLNQADKCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O4/c1-15-23(24(30)25(31)28-18-8-11-22(33-3)27-13-18)20-12-19(32-2)9-10-21(20)29(15)14-16-4-6-17(26)7-5-16/h4-13H,14H2,1-3H3,(H,28,31).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide?
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide has a molecular weight of 463.92 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 53482691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).