2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-3-ylmethyl)acetamide

C21H18N2O4 — CID 4837362

IUPAC2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1coc2cc3oc(=O)c(CC(=O)NCc4cccnc4)c(C)c3cc12
InChIInChI=1S/C21H18N2O4/c1-12-11-26-18-8-19-16(6-15(12)18)13(2)17(21(25)27-19)7-20(24)23-10-14-4-3-5-22-9-14/h3-6,8-9,11H,7,10H2,1-2H3,(H,23,24)
InChIKeyFNICVBNCCYAVNI-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.41
Rot. Bonds4

About 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 4837362) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID4837362
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1coc2cc3oc(=O)c(CC(=O)NCc4cccnc4)c(C)c3cc12
InChIInChI=1S/C21H18N2O4/c1-12-11-26-18-8-19-16(6-15(12)18)13(2)17(21(25)27-19)7-20(24)23-10-14-4-3-5-22-9-14/h3-6,8-9,11H,7,10H2,1-2H3,(H,23,24)
InChIKeyFNICVBNCCYAVNI-UHFFFAOYSA-N
XLogP3.41
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-chlorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-(pyridin-3-ylmethylcarbamothioyl)acetamide
CID 163360014
2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 4870604
N-[(2S)-2,3-dihydroxypropyl]-2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
CID 40854906
3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4837736
2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 6222296
2-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 23606134
2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]benzamide
CID 4869567
2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 4839811
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 29291454
3,5-dimethyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)furo[3,2-g]chromen-7-one
CID 4914333
3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(3-hydroxypropyl)propanamide
CID 4967067
2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-4-ethylsulfanylbutanoic acid
CID 3721770

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 4837362) is 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-3-ylmethyl)acetamide is Cc1coc2cc3oc(=O)c(CC(=O)NCc4cccnc4)c(C)c3cc12.
What is the InChIKey of 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is FNICVBNCCYAVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-12-11-26-18-8-19-16(6-15(12)18)13(2)17(21(25)27-19)7-20(24)23-10-14-4-3-5-22-9-14/h3-6,8-9,11H,7,10H2,1-2H3,(H,23,24).
What are the key properties of 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 362.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 4837362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).