N-benzyl-N-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide

C25H23FN2O3 — CID 71838235

IUPACN-benzyl-N-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1c(C)oc2ccn(Cc3ccccc3F)c(=O)c12
InChIInChI=1S/C25H23FN2O3/c1-3-27(15-18-9-5-4-6-10-18)24(29)22-17(2)31-21-13-14-28(25(30)23(21)22)16-19-11-7-8-12-20(19)26/h4-14H,3,15-16H2,1-2H3
InChIKeyQHZUWWXCMJBRCB-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.75
Rot. Bonds6

About N-benzyl-N-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide

N-benzyl-N-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide (PubChem CID 71838235) has the molecular formula C25H23FN2O3 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide
PubChem CID71838235
Molecular FormulaC25H23FN2O3
Molecular Weight418.47 g/mol
Exact Mass418.17
IUPAC NameN-benzyl-N-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1c(C)oc2ccn(Cc3ccccc3F)c(=O)c12
InChIInChI=1S/C25H23FN2O3/c1-3-27(15-18-9-5-4-6-10-18)24(29)22-17(2)31-21-13-14-28(25(30)23(21)22)16-19-11-7-8-12-20(19)26/h4-14H,3,15-16H2,1-2H3
InChIKeyQHZUWWXCMJBRCB-UHFFFAOYSA-N
XLogP4.75
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide (CID 71838235) is N-benzyl-N-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1c(C)oc2ccn(Cc3ccccc3F)c(=O)c12.
What is the InChIKey of N-benzyl-N-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide?
The InChIKey is QHZUWWXCMJBRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3/c1-3-27(15-18-9-5-4-6-10-18)24(29)22-17(2)31-21-13-14-28(25(30)23(21)22)16-19-11-7-8-12-20(19)26/h4-14H,3,15-16H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide?
N-benzyl-N-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5-[(2-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 71838235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).