N-[(5-methoxy-1H-indol-2-yl)methyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide

C17H17N3O3 — CID 77096559

IUPACN-[(5-methoxy-1H-indol-2-yl)methyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
SMILESCOc1ccc2[nH]c(CNC(=O)C(=O)c3cccn3C)cc2c1
InChIInChI=1S/C17H17N3O3/c1-20-7-3-4-15(20)16(21)17(22)18-10-12-8-11-9-13(23-2)5-6-14(11)19-12/h3-9,19H,10H2,1-2H3,(H,18,22)
InChIKeyPVNGWHJLUCVPLF-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.01
Rot. Bonds5

About N-[(5-methoxy-1H-indol-2-yl)methyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide

N-[(5-methoxy-1H-indol-2-yl)methyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide (PubChem CID 77096559) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[(5-methoxy-1H-indol-2-yl)methyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(5-methoxy-1H-indol-2-yl)methyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
PubChem CID77096559
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[(5-methoxy-1H-indol-2-yl)methyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
SMILESCOc1ccc2[nH]c(CNC(=O)C(=O)c3cccn3C)cc2c1
InChIInChI=1S/C17H17N3O3/c1-20-7-3-4-15(20)16(21)17(22)18-10-12-8-11-9-13(23-2)5-6-14(11)19-12/h3-9,19H,10H2,1-2H3,(H,18,22)
InChIKeyPVNGWHJLUCVPLF-UHFFFAOYSA-N
XLogP2.01
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methoxy-1H-indol-2-yl)methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 119064122
3-(benzimidazol-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]propanamide
CID 91795395
3-(5-methoxy-1H-indol-2-yl)propanoic acid
CID 18987712
3-[4-(hydroxymethyl)thiophen-2-yl]-N-[(5-methoxy-1H-indol-2-yl)methyl]prop-2-enamide
CID 171139598
(5-methoxy-1H-indol-2-yl)methyl acetate
CID 22766960
methyl 2-amino-3-(5-methoxy-1H-indol-2-yl)propanoate
CID 68805241
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]acetamide
CID 119068950
N-[(5-methoxy-1H-indol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide
CID 124753443
N-[(5-methoxy-1H-indol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91829682
2-(6-chloro-1H-benzimidazol-2-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]acetamide
CID 131948284
[4-[[(5-methoxy-1H-indol-2-yl)methylamino]methyl]-2,6-dimethylphenyl] acetate
CID 50970975
acetic acid;(1S,3R,4R)-3-amino-4-hydroxy-N-[(5-methoxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide
CID 155938523

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1H-indol-2-yl)methyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The IUPAC name of N-[(5-methoxy-1H-indol-2-yl)methyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide (CID 77096559) is N-[(5-methoxy-1H-indol-2-yl)methyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(5-methoxy-1H-indol-2-yl)methyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The canonical SMILES for N-[(5-methoxy-1H-indol-2-yl)methyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide is COc1ccc2[nH]c(CNC(=O)C(=O)c3cccn3C)cc2c1.
What is the InChIKey of N-[(5-methoxy-1H-indol-2-yl)methyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The InChIKey is PVNGWHJLUCVPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-20-7-3-4-15(20)16(21)17(22)18-10-12-8-11-9-13(23-2)5-6-14(11)19-12/h3-9,19H,10H2,1-2H3,(H,18,22).
What are the key properties of N-[(5-methoxy-1H-indol-2-yl)methyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
N-[(5-methoxy-1H-indol-2-yl)methyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide has a molecular weight of 311.34 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1H-indol-2-yl)methyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide is sourced from PubChem (CID 77096559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).