N-[(3,4-difluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide

C16H12F2N2O3 — CID 91370295

IUPACN-[(3,4-difluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
SMILESCn1cc(C(=O)NCc2ccc(F)c(F)c2)c(=O)c2ccoc21
InChIInChI=1S/C16H12F2N2O3/c1-20-8-11(14(21)10-4-5-23-16(10)20)15(22)19-7-9-2-3-12(17)13(18)6-9/h2-6,8H,7H2,1H3,(H,19,22)
InChIKeyDOAGEDMTESAPJY-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.34
Rot. Bonds3

About N-[(3,4-difluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide

N-[(3,4-difluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide (PubChem CID 91370295) has the molecular formula C16H12F2N2O3 and a molecular weight of 318.28 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
PubChem CID91370295
Molecular FormulaC16H12F2N2O3
Molecular Weight318.28 g/mol
Exact Mass318.08
IUPAC NameN-[(3,4-difluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
SMILESCn1cc(C(=O)NCc2ccc(F)c(F)c2)c(=O)c2ccoc21
InChIInChI=1S/C16H12F2N2O3/c1-20-8-11(14(21)10-4-5-23-16(10)20)15(22)19-7-9-2-3-12(17)13(18)6-9/h2-6,8H,7H2,1H3,(H,19,22)
InChIKeyDOAGEDMTESAPJY-UHFFFAOYSA-N
XLogP2.34
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,4-difluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide (CID 91370295) is N-[(3,4-difluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide is Cn1cc(C(=O)NCc2ccc(F)c(F)c2)c(=O)c2ccoc21.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide?
The InChIKey is DOAGEDMTESAPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3/c1-20-8-11(14(21)10-4-5-23-16(10)20)15(22)19-7-9-2-3-12(17)13(18)6-9/h2-6,8H,7H2,1H3,(H,19,22).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide?
N-[(3,4-difluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide has a molecular weight of 318.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 91370295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).