2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide

C24H20ClN3O3 — CID 25144704

IUPAC2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESCOc1ccc2c(c1)c(C(=O)C(=O)Nc1ccncc1)c(C)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C24H20ClN3O3/c1-15-22(23(29)24(30)27-18-9-11-26-12-10-18)20-13-19(31-2)7-8-21(20)28(15)14-16-3-5-17(25)6-4-16/h3-13H,14H2,1-2H3,(H,26,27,30)
InChIKeyCKBPTKVFHCONDG-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.88
Rot. Bonds6

About 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide

2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (PubChem CID 25144704) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
PubChem CID25144704
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESCOc1ccc2c(c1)c(C(=O)C(=O)Nc1ccncc1)c(C)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C24H20ClN3O3/c1-15-22(23(29)24(30)27-18-9-11-26-12-10-18)20-13-19(31-2)7-8-21(20)28(15)14-16-3-5-17(25)6-4-16/h3-13H,14H2,1-2H3,(H,26,27,30)
InChIKeyCKBPTKVFHCONDG-UHFFFAOYSA-N
XLogP4.88
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
CID 53482691
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-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 68905533
1-[(4-chlorophenyl)methyl]-3-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2-methylindole-5-carboxylic acid
CID 57386189
2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 53482570
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide
CID 53308195
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]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144411
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-[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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (CID 25144704) is 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccncc1)c(C)n2Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The InChIKey is CKBPTKVFHCONDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-15-22(23(29)24(30)27-18-9-11-26-12-10-18)20-13-19(31-2)7-8-21(20)28(15)14-16-3-5-17(25)6-4-16/h3-13H,14H2,1-2H3,(H,26,27,30).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide has a molecular weight of 433.90 g/mol, XLogP of 4.88, 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]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is sourced from PubChem (CID 25144704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).