N-(6-methoxy-3-pyridinyl)-2-oxo-2-[1-(oxolan-2-ylmethyl)indol-3-yl]acetamide

C21H21N3O4 — CID 127038983

IUPACN-(6-methoxy-3-pyridinyl)-2-oxo-2-[1-(oxolan-2-ylmethyl)indol-3-yl]acetamide
SMILESCOc1ccc(NC(=O)C(=O)c2cn(CC3CCCO3)c3ccccc23)cn1
InChIInChI=1S/C21H21N3O4/c1-27-19-9-8-14(11-22-19)23-21(26)20(25)17-13-24(12-15-5-4-10-28-15)18-7-3-2-6-16(17)18/h2-3,6-9,11,13,15H,4-5,10,12H2,1H3,(H,23,26)
InChIKeyLVQWUIBSUCHLDV-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.05
Rot. Bonds6

About N-(6-methoxy-3-pyridinyl)-2-oxo-2-[1-(oxolan-2-ylmethyl)indol-3-yl]acetamide

N-(6-methoxy-3-pyridinyl)-2-oxo-2-[1-(oxolan-2-ylmethyl)indol-3-yl]acetamide (PubChem CID 127038983) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-2-oxo-2-[1-(oxolan-2-ylmethyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-2-oxo-2-[1-(oxolan-2-ylmethyl)indol-3-yl]acetamide
PubChem CID127038983
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-(6-methoxy-3-pyridinyl)-2-oxo-2-[1-(oxolan-2-ylmethyl)indol-3-yl]acetamide
SMILESCOc1ccc(NC(=O)C(=O)c2cn(CC3CCCO3)c3ccccc23)cn1
InChIInChI=1S/C21H21N3O4/c1-27-19-9-8-14(11-22-19)23-21(26)20(25)17-13-24(12-15-5-4-10-28-15)18-7-3-2-6-16(17)18/h2-3,6-9,11,13,15H,4-5,10,12H2,1H3,(H,23,26)
InChIKeyLVQWUIBSUCHLDV-UHFFFAOYSA-N
XLogP3.05
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-2-oxo-2-[1-(oxolan-2-ylmethyl)indol-3-yl]acetamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-2-oxo-2-[1-(oxolan-2-ylmethyl)indol-3-yl]acetamide (CID 127038983) is N-(6-methoxy-3-pyridinyl)-2-oxo-2-[1-(oxolan-2-ylmethyl)indol-3-yl]acetamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-2-oxo-2-[1-(oxolan-2-ylmethyl)indol-3-yl]acetamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-2-oxo-2-[1-(oxolan-2-ylmethyl)indol-3-yl]acetamide is COc1ccc(NC(=O)C(=O)c2cn(CC3CCCO3)c3ccccc23)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-2-oxo-2-[1-(oxolan-2-ylmethyl)indol-3-yl]acetamide?
The InChIKey is LVQWUIBSUCHLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-27-19-9-8-14(11-22-19)23-21(26)20(25)17-13-24(12-15-5-4-10-28-15)18-7-3-2-6-16(17)18/h2-3,6-9,11,13,15H,4-5,10,12H2,1H3,(H,23,26).
What are the key properties of N-(6-methoxy-3-pyridinyl)-2-oxo-2-[1-(oxolan-2-ylmethyl)indol-3-yl]acetamide?
N-(6-methoxy-3-pyridinyl)-2-oxo-2-[1-(oxolan-2-ylmethyl)indol-3-yl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-2-oxo-2-[1-(oxolan-2-ylmethyl)indol-3-yl]acetamide is sourced from PubChem (CID 127038983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).