2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]acetamide

C28H23N3O6 — CID 155486617

IUPAC2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]acetamide
SMILESCOc1ccc2cc(-c3oc4cc(C)oc(=O)c4c3CC(=O)NCC(=O)Nc3ccncc3)ccc2c1
InChIInChI=1S/C28H23N3O6/c1-16-11-23-26(28(34)36-16)22(14-24(32)30-15-25(33)31-20-7-9-29-10-8-20)27(37-23)19-4-3-18-13-21(35-2)6-5-17(18)12-19/h3-13H,14-15H2,1-2H3,(H,30,32)(H,29,31,33)
InChIKeyRGIMRQYJMAQZSK-UHFFFAOYSA-N
MW497.51 g/mol
LogP4.22
Rot. Bonds7

About 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]acetamide

2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]acetamide (PubChem CID 155486617) has the molecular formula C28H23N3O6 and a molecular weight of 497.51 g/mol. Its IUPAC name is 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]acetamide
PubChem CID155486617
Molecular FormulaC28H23N3O6
Molecular Weight497.51 g/mol
Exact Mass497.16
IUPAC Name2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]acetamide
SMILESCOc1ccc2cc(-c3oc4cc(C)oc(=O)c4c3CC(=O)NCC(=O)Nc3ccncc3)ccc2c1
InChIInChI=1S/C28H23N3O6/c1-16-11-23-26(28(34)36-16)22(14-24(32)30-15-25(33)31-20-7-9-29-10-8-20)27(37-23)19-4-3-18-13-21(35-2)6-5-17(18)12-19/h3-13H,14-15H2,1-2H3,(H,30,32)(H,29,31,33)
InChIKeyRGIMRQYJMAQZSK-UHFFFAOYSA-N
XLogP4.22
TPSA123.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide
CID 134716963
N-(2,2-dimethoxyethyl)-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide
CID 134716919
2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 155486625
2-[2-(4-methoxyphenyl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 154925524
6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
CID 3786468
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide
CID 51297554
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
N-(4-methoxyphenyl)-2-pyridin-4-ylacetamide
CID 110697333
N-(2-hydroxyethyl)-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide
CID 146048709
2-(4-hydroxyphenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide
CID 122191191
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112999287

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]acetamide?
The IUPAC name of 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]acetamide (CID 155486617) is 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]acetamide?
The canonical SMILES for 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]acetamide is COc1ccc2cc(-c3oc4cc(C)oc(=O)c4c3CC(=O)NCC(=O)Nc3ccncc3)ccc2c1.
What is the InChIKey of 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]acetamide?
The InChIKey is RGIMRQYJMAQZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O6/c1-16-11-23-26(28(34)36-16)22(14-24(32)30-15-25(33)31-20-7-9-29-10-8-20)27(37-23)19-4-3-18-13-21(35-2)6-5-17(18)12-19/h3-13H,14-15H2,1-2H3,(H,30,32)(H,29,31,33).
What are the key properties of 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]acetamide?
2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]acetamide has a molecular weight of 497.51 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]acetamide is sourced from PubChem (CID 155486617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).