N-(5-chloro-2-pyridinyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide

C20H18ClN3O2 — CID 53124248

IUPACN-(5-chloro-2-pyridinyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
SMILESCc1ccc(Cn2cccc2C(=O)C(=O)Nc2ccc(Cl)cn2)cc1C
InChIInChI=1S/C20H18ClN3O2/c1-13-5-6-15(10-14(13)2)12-24-9-3-4-17(24)19(25)20(26)23-18-8-7-16(21)11-22-18/h3-11H,12H2,1-2H3,(H,22,23,26)
InChIKeyOJEXBIJLYOULDB-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.02
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide

N-(5-chloro-2-pyridinyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide (PubChem CID 53124248) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
PubChem CID53124248
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
SMILESCc1ccc(Cn2cccc2C(=O)C(=O)Nc2ccc(Cl)cn2)cc1C
InChIInChI=1S/C20H18ClN3O2/c1-13-5-6-15(10-14(13)2)12-24-9-3-4-17(24)19(25)20(26)23-18-8-7-16(21)11-22-18/h3-11H,12H2,1-2H3,(H,22,23,26)
InChIKeyOJEXBIJLYOULDB-UHFFFAOYSA-N
XLogP4.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124066
N-(5-chloro-2-methylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124078
N-(4-acetylphenyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124242
N-(2,5-dimethylphenyl)-2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124203
N-(2,6-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124086
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124283
N-(2-chloro-4-methylphenyl)-2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124208
N-(5-chloro-2-pyridinyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2121854
1-[(4-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-2-oxopyridine-3-carboxamide
CID 7598067
1-benzyl-N-(5-chloropyrazin-2-yl)pyrrole-2-carboxamide
CID 130175298
2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-N-naphthalen-1-yl-2-oxoacetamide
CID 53124150
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)sulfanylacetamide
CID 34135048

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide (CID 53124248) is N-(5-chloro-2-pyridinyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide is Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2ccc(Cl)cn2)cc1C.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide?
The InChIKey is OJEXBIJLYOULDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-13-5-6-15(10-14(13)2)12-24-9-3-4-17(24)19(25)20(26)23-18-8-7-16(21)11-22-18/h3-11H,12H2,1-2H3,(H,22,23,26).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide?
N-(5-chloro-2-pyridinyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide has a molecular weight of 367.84 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide is sourced from PubChem (CID 53124248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).