N-[4-[(E)-(6-methyl-3,4-dioxo-5H-furo[3,4-c]pyridin-1-ylidene)methyl]phenyl]acetamide

C17H14N2O4 — CID 6323748

IUPACN-[4-[(E)-(6-methyl-3,4-dioxo-5H-furo[3,4-c]pyridin-1-ylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C2/OC(=O)c3c2cc(C)[nH]c3=O)cc1
InChIInChI=1S/C17H14N2O4/c1-9-7-13-14(23-17(22)15(13)16(21)18-9)8-11-3-5-12(6-4-11)19-10(2)20/h3-8H,1-2H3,(H,18,21)(H,19,20)/b14-8+
InChIKeyAOUQHKWVNBKGPD-RIYZIHGNSA-N
MW310.31 g/mol
LogP2.31
Rot. Bonds2

About N-[4-[(E)-(6-methyl-3,4-dioxo-5H-furo[3,4-c]pyridin-1-ylidene)methyl]phenyl]acetamide

N-[4-[(E)-(6-methyl-3,4-dioxo-5H-furo[3,4-c]pyridin-1-ylidene)methyl]phenyl]acetamide (PubChem CID 6323748) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[4-[(E)-(6-methyl-3,4-dioxo-5H-furo[3,4-c]pyridin-1-ylidene)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-(6-methyl-3,4-dioxo-5H-furo[3,4-c]pyridin-1-ylidene)methyl]phenyl]acetamide
PubChem CID6323748
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN-[4-[(E)-(6-methyl-3,4-dioxo-5H-furo[3,4-c]pyridin-1-ylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C2/OC(=O)c3c2cc(C)[nH]c3=O)cc1
InChIInChI=1S/C17H14N2O4/c1-9-7-13-14(23-17(22)15(13)16(21)18-9)8-11-3-5-12(6-4-11)19-10(2)20/h3-8H,1-2H3,(H,18,21)(H,19,20)/b14-8+
InChIKeyAOUQHKWVNBKGPD-RIYZIHGNSA-N
XLogP2.31
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-(6-methyl-3,4-dioxo-5H-furo[3,4-c]pyridin-1-ylidene)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-(6-methyl-3,4-dioxo-5H-furo[3,4-c]pyridin-1-ylidene)methyl]phenyl]acetamide (CID 6323748) is N-[4-[(E)-(6-methyl-3,4-dioxo-5H-furo[3,4-c]pyridin-1-ylidene)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-(6-methyl-3,4-dioxo-5H-furo[3,4-c]pyridin-1-ylidene)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-(6-methyl-3,4-dioxo-5H-furo[3,4-c]pyridin-1-ylidene)methyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C2/OC(=O)c3c2cc(C)[nH]c3=O)cc1.
What is the InChIKey of N-[4-[(E)-(6-methyl-3,4-dioxo-5H-furo[3,4-c]pyridin-1-ylidene)methyl]phenyl]acetamide?
The InChIKey is AOUQHKWVNBKGPD-RIYZIHGNSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-9-7-13-14(23-17(22)15(13)16(21)18-9)8-11-3-5-12(6-4-11)19-10(2)20/h3-8H,1-2H3,(H,18,21)(H,19,20)/b14-8+.
What are the key properties of N-[4-[(E)-(6-methyl-3,4-dioxo-5H-furo[3,4-c]pyridin-1-ylidene)methyl]phenyl]acetamide?
N-[4-[(E)-(6-methyl-3,4-dioxo-5H-furo[3,4-c]pyridin-1-ylidene)methyl]phenyl]acetamide has a molecular weight of 310.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-(6-methyl-3,4-dioxo-5H-furo[3,4-c]pyridin-1-ylidene)methyl]phenyl]acetamide is sourced from PubChem (CID 6323748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).