2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C19H21N3O4 — CID 56763704

IUPAC2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCOc1cn(CC(=O)NCCc2c[nH]c3ccccc23)c(CO)cc1=O
InChIInChI=1S/C19H21N3O4/c1-26-18-10-22(14(12-23)8-17(18)24)11-19(25)20-7-6-13-9-21-16-5-3-2-4-15(13)16/h2-5,8-10,21,23H,6-7,11-12H2,1H3,(H,20,25)
InChIKeyRUWZRTLPVNSFNF-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.19
Rot. Bonds7

About 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 56763704) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID56763704
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCOc1cn(CC(=O)NCCc2c[nH]c3ccccc23)c(CO)cc1=O
InChIInChI=1S/C19H21N3O4/c1-26-18-10-22(14(12-23)8-17(18)24)11-19(25)20-7-6-13-9-21-16-5-3-2-4-15(13)16/h2-5,8-10,21,23H,6-7,11-12H2,1H3,(H,20,25)
InChIKeyRUWZRTLPVNSFNF-UHFFFAOYSA-N
XLogP1.19
TPSA96.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 8786824
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 9337378
2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17433243
N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide
CID 108949616
N-[2-(1H-indol-3-yl)ethyl]-2-[(5E)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 56730766
N-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064179
2-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113173158
N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide
CID 8805917
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18107803
methyl 3-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]sulfanylpropanoate
CID 9344556

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 56763704) is 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is COc1cn(CC(=O)NCCc2c[nH]c3ccccc23)c(CO)cc1=O.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is RUWZRTLPVNSFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-26-18-10-22(14(12-23)8-17(18)24)11-19(25)20-7-6-13-9-21-16-5-3-2-4-15(13)16/h2-5,8-10,21,23H,6-7,11-12H2,1H3,(H,20,25).
What are the key properties of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 355.39 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 56763704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).