4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione

C16H13NO3 — CID 58187432

IUPAC4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(Cc3ccccc3)c2C(=O)N1
InChIInChI=1S/C16H13NO3/c1-10-7-13-15(16(19)17-10)12(9-14(18)20-13)8-11-5-3-2-4-6-11/h2-6,9H,1,7-8H2,(H,17,19)
InChIKeyQRSFVSSSJUCXDZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.03
Rot. Bonds2

About 4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione

4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 58187432) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID58187432
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(Cc3ccccc3)c2C(=O)N1
InChIInChI=1S/C16H13NO3/c1-10-7-13-15(16(19)17-10)12(9-14(18)20-13)8-11-5-3-2-4-6-11/h2-6,9H,1,7-8H2,(H,17,19)
InChIKeyQRSFVSSSJUCXDZ-UHFFFAOYSA-N
XLogP2.03
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxylate
CID 70690900
ethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70688817
methyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70690901
6-isobutyl-4-methoxy-3-phenyl-1H-pyridin-2-one
CID 127041113
4-[(2-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187491
4-[(3-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187598
4-[(2-fluorophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317164
4-[(3-fluorophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317169
tert-butyl 2-methyl-6-oxo-5-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 67246481
ethyl 5-[(2-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 129080057
methyl 5-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 129080058
methyl 5-[(3-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 129080064

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (CID 58187432) is 4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is C=C1Cc2oc(=O)cc(Cc3ccccc3)c2C(=O)N1.
What is the InChIKey of 4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is QRSFVSSSJUCXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-10-7-13-15(16(19)17-10)12(9-14(18)20-13)8-11-5-3-2-4-6-11/h2-6,9H,1,7-8H2,(H,17,19).
What are the key properties of 4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 267.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 58187432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).