N-(3-chloro-4-pyridinyl)-2-[5-hydroxy-1-[(4-methylphenyl)methyl]indol-3-yl]-2-oxoacetamide

C23H18ClN3O3 — CID 58806260

IUPACN-(3-chloro-4-pyridinyl)-2-[5-hydroxy-1-[(4-methylphenyl)methyl]indol-3-yl]-2-oxoacetamide
SMILESCc1ccc(Cn2cc(C(=O)C(=O)Nc3ccncc3Cl)c3cc(O)ccc32)cc1
InChIInChI=1S/C23H18ClN3O3/c1-14-2-4-15(5-3-14)12-27-13-18(17-10-16(28)6-7-21(17)27)22(29)23(30)26-20-8-9-25-11-19(20)24/h2-11,13,28H,12H2,1H3,(H,25,26,30)
InChIKeyILOUOPKOEWGZNH-UHFFFAOYSA-N
MW419.87 g/mol
LogP4.57
Rot. Bonds5

About N-(3-chloro-4-pyridinyl)-2-[5-hydroxy-1-[(4-methylphenyl)methyl]indol-3-yl]-2-oxoacetamide

N-(3-chloro-4-pyridinyl)-2-[5-hydroxy-1-[(4-methylphenyl)methyl]indol-3-yl]-2-oxoacetamide (PubChem CID 58806260) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is N-(3-chloro-4-pyridinyl)-2-[5-hydroxy-1-[(4-methylphenyl)methyl]indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyridinyl)-2-[5-hydroxy-1-[(4-methylphenyl)methyl]indol-3-yl]-2-oxoacetamide
PubChem CID58806260
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC NameN-(3-chloro-4-pyridinyl)-2-[5-hydroxy-1-[(4-methylphenyl)methyl]indol-3-yl]-2-oxoacetamide
SMILESCc1ccc(Cn2cc(C(=O)C(=O)Nc3ccncc3Cl)c3cc(O)ccc32)cc1
InChIInChI=1S/C23H18ClN3O3/c1-14-2-4-15(5-3-14)12-27-13-18(17-10-16(28)6-7-21(17)27)22(29)23(30)26-20-8-9-25-11-19(20)24/h2-11,13,28H,12H2,1H3,(H,25,26,30)
InChIKeyILOUOPKOEWGZNH-UHFFFAOYSA-N
XLogP4.57
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide
CID 110167947
N-(3-chloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide
CID 110167937
N-(3,5-dichloro-2-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide
CID 91341102
N-(3,5-dichloro-4-pyridinyl)-5-hydroxy-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide
CID 22660391
[3-[2-[(3,5-dichloro-4-pyridinyl)amino]-2-oxoacetyl]-1-[(4-fluorophenyl)methyl]indol-5-yl] acetate
CID 15429129
2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144411
N-(3,5-dichloro-4-pyridinyl)-2-[(3,5-dichloro-4-pyridinyl)imino]-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]acetamide
CID 110169286
N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 5303659
dipotassium;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;carbonate
CID 157152632
ethyl N-[[1-[(4-fluorophenyl)methyl]-3-[2-oxo-2-(pyridin-4-ylamino)acetyl]indol-5-yl]methyl]carbamate
CID 11540127
1-(3-chloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]ethane-1,2-dione
CID 110169325
N-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide
CID 110167918

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyridinyl)-2-[5-hydroxy-1-[(4-methylphenyl)methyl]indol-3-yl]-2-oxoacetamide?
The IUPAC name of N-(3-chloro-4-pyridinyl)-2-[5-hydroxy-1-[(4-methylphenyl)methyl]indol-3-yl]-2-oxoacetamide (CID 58806260) is N-(3-chloro-4-pyridinyl)-2-[5-hydroxy-1-[(4-methylphenyl)methyl]indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-(3-chloro-4-pyridinyl)-2-[5-hydroxy-1-[(4-methylphenyl)methyl]indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-(3-chloro-4-pyridinyl)-2-[5-hydroxy-1-[(4-methylphenyl)methyl]indol-3-yl]-2-oxoacetamide is Cc1ccc(Cn2cc(C(=O)C(=O)Nc3ccncc3Cl)c3cc(O)ccc32)cc1.
What is the InChIKey of N-(3-chloro-4-pyridinyl)-2-[5-hydroxy-1-[(4-methylphenyl)methyl]indol-3-yl]-2-oxoacetamide?
The InChIKey is ILOUOPKOEWGZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-14-2-4-15(5-3-14)12-27-13-18(17-10-16(28)6-7-21(17)27)22(29)23(30)26-20-8-9-25-11-19(20)24/h2-11,13,28H,12H2,1H3,(H,25,26,30).
What are the key properties of N-(3-chloro-4-pyridinyl)-2-[5-hydroxy-1-[(4-methylphenyl)methyl]indol-3-yl]-2-oxoacetamide?
N-(3-chloro-4-pyridinyl)-2-[5-hydroxy-1-[(4-methylphenyl)methyl]indol-3-yl]-2-oxoacetamide has a molecular weight of 419.87 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyridinyl)-2-[5-hydroxy-1-[(4-methylphenyl)methyl]indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 58806260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).