1,7,7-trimethyl-9-oxo-N-(pyridin-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide

C21H20N2O4 — CID 20886081

IUPAC1,7,7-trimethyl-9-oxo-N-(pyridin-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccn2)oc2ccc3c(c12)C(=O)CC(C)(C)O3
InChIInChI=1S/C21H20N2O4/c1-12-17-15(7-8-16-18(17)14(24)10-21(2,3)27-16)26-19(12)20(25)23-11-13-6-4-5-9-22-13/h4-9H,10-11H2,1-3H3,(H,23,25)
InChIKeyROPIDGBLESNVLX-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.81
Rot. Bonds3

About 1,7,7-trimethyl-9-oxo-N-(pyridin-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide

1,7,7-trimethyl-9-oxo-N-(pyridin-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide (PubChem CID 20886081) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1,7,7-trimethyl-9-oxo-N-(pyridin-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide.

Molecular Properties

Compound Name1,7,7-trimethyl-9-oxo-N-(pyridin-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide
PubChem CID20886081
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name1,7,7-trimethyl-9-oxo-N-(pyridin-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccn2)oc2ccc3c(c12)C(=O)CC(C)(C)O3
InChIInChI=1S/C21H20N2O4/c1-12-17-15(7-8-16-18(17)14(24)10-21(2,3)27-16)26-19(12)20(25)23-11-13-6-4-5-9-22-13/h4-9H,10-11H2,1-3H3,(H,23,25)
InChIKeyROPIDGBLESNVLX-UHFFFAOYSA-N
XLogP3.81
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,7,7-trimethyl-9-oxo-N-(pyridin-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide with MolForge

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 20886080
ethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate
CID 6623148
N-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 22553080
(7R)-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N-(thiophen-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide
CID 92669143
4-hydroxyimino-3,6,6-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-1-benzofuran-2-carboxamide
CID 4901482
5-chloro-3-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 40708349
(4S)-4-hydroxy-3,6,6-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-1-benzofuran-2-carboxamide
CID 7377983
(4Z)-4-(diaminomethylidenehydrazinylidene)-3,6,6-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-1-benzofuran-2-carboxamide
CID 18835375
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide
CID 22511366
N-[2-(4-chlorophenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 23601780
4-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 110851934
3-bromo-5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 58458867

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-9-oxo-N-(pyridin-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide?
The IUPAC name of 1,7,7-trimethyl-9-oxo-N-(pyridin-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide (CID 20886081) is 1,7,7-trimethyl-9-oxo-N-(pyridin-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide.
What is the SMILES notation for 1,7,7-trimethyl-9-oxo-N-(pyridin-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide?
The canonical SMILES for 1,7,7-trimethyl-9-oxo-N-(pyridin-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide is Cc1c(C(=O)NCc2ccccn2)oc2ccc3c(c12)C(=O)CC(C)(C)O3.
What is the InChIKey of 1,7,7-trimethyl-9-oxo-N-(pyridin-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide?
The InChIKey is ROPIDGBLESNVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-12-17-15(7-8-16-18(17)14(24)10-21(2,3)27-16)26-19(12)20(25)23-11-13-6-4-5-9-22-13/h4-9H,10-11H2,1-3H3,(H,23,25).
What are the key properties of 1,7,7-trimethyl-9-oxo-N-(pyridin-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide?
1,7,7-trimethyl-9-oxo-N-(pyridin-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-9-oxo-N-(pyridin-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide is sourced from PubChem (CID 20886081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).