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

C24H21FN2O3 — CID 71830143

IUPACN-benzyl-5-[(3-fluorophenyl)methyl]-N,2-dimethyl-4-oxofuro[3,2-c]pyridine-3-carboxamide
SMILESCc1oc2ccn(Cc3cccc(F)c3)c(=O)c2c1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H21FN2O3/c1-16-21(23(28)26(2)14-17-7-4-3-5-8-17)22-20(30-16)11-12-27(24(22)29)15-18-9-6-10-19(25)13-18/h3-13H,14-15H2,1-2H3
InChIKeyDZUPBSDBDDSWQZ-UHFFFAOYSA-N
MW404.44 g/mol
LogP4.36
Rot. Bonds5

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

N-benzyl-5-[(3-fluorophenyl)methyl]-N,2-dimethyl-4-oxofuro[3,2-c]pyridine-3-carboxamide (PubChem CID 71830143) has the molecular formula C24H21FN2O3 and a molecular weight of 404.44 g/mol. Its IUPAC name is N-benzyl-5-[(3-fluorophenyl)methyl]-N,2-dimethyl-4-oxofuro[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(3-fluorophenyl)methyl]-N,2-dimethyl-4-oxofuro[3,2-c]pyridine-3-carboxamide
PubChem CID71830143
Molecular FormulaC24H21FN2O3
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC NameN-benzyl-5-[(3-fluorophenyl)methyl]-N,2-dimethyl-4-oxofuro[3,2-c]pyridine-3-carboxamide
SMILESCc1oc2ccn(Cc3cccc(F)c3)c(=O)c2c1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H21FN2O3/c1-16-21(23(28)26(2)14-17-7-4-3-5-8-17)22-20(30-16)11-12-27(24(22)29)15-18-9-6-10-19(25)13-18/h3-13H,14-15H2,1-2H3
InChIKeyDZUPBSDBDDSWQZ-UHFFFAOYSA-N
XLogP4.36
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(3-fluorophenyl)methyl]-N,2-dimethyl-4-oxofuro[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-[(3-fluorophenyl)methyl]-N,2-dimethyl-4-oxofuro[3,2-c]pyridine-3-carboxamide (CID 71830143) is N-benzyl-5-[(3-fluorophenyl)methyl]-N,2-dimethyl-4-oxofuro[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-[(3-fluorophenyl)methyl]-N,2-dimethyl-4-oxofuro[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-[(3-fluorophenyl)methyl]-N,2-dimethyl-4-oxofuro[3,2-c]pyridine-3-carboxamide is Cc1oc2ccn(Cc3cccc(F)c3)c(=O)c2c1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-5-[(3-fluorophenyl)methyl]-N,2-dimethyl-4-oxofuro[3,2-c]pyridine-3-carboxamide?
The InChIKey is DZUPBSDBDDSWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3/c1-16-21(23(28)26(2)14-17-7-4-3-5-8-17)22-20(30-16)11-12-27(24(22)29)15-18-9-6-10-19(25)13-18/h3-13H,14-15H2,1-2H3.
What are the key properties of N-benzyl-5-[(3-fluorophenyl)methyl]-N,2-dimethyl-4-oxofuro[3,2-c]pyridine-3-carboxamide?
N-benzyl-5-[(3-fluorophenyl)methyl]-N,2-dimethyl-4-oxofuro[3,2-c]pyridine-3-carboxamide has a molecular weight of 404.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(3-fluorophenyl)methyl]-N,2-dimethyl-4-oxofuro[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 71830143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).