5-[(2-fluorophenyl)methyl]-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxofuro[3,2-c]pyridine-3-carboxamide

C25H30FN3O3 — CID 71838232

IUPAC5-[(2-fluorophenyl)methyl]-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxofuro[3,2-c]pyridine-3-carboxamide
SMILESCc1oc2ccn(Cc3ccccc3F)c(=O)c2c1C(=O)NCCCN1CCCCC1C
InChIInChI=1S/C25H30FN3O3/c1-17-8-5-6-13-28(17)14-7-12-27-24(30)22-18(2)32-21-11-15-29(25(31)23(21)22)16-19-9-3-4-10-20(19)26/h3-4,9-11,15,17H,5-8,12-14,16H2,1-2H3,(H,27,30)
InChIKeyKKDFAZFJKISAOA-UHFFFAOYSA-N
MW439.53 g/mol
LogP4.08
Rot. Bonds7

About 5-[(2-fluorophenyl)methyl]-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxofuro[3,2-c]pyridine-3-carboxamide

5-[(2-fluorophenyl)methyl]-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxofuro[3,2-c]pyridine-3-carboxamide (PubChem CID 71838232) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxofuro[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxofuro[3,2-c]pyridine-3-carboxamide
PubChem CID71838232
Molecular FormulaC25H30FN3O3
Molecular Weight439.53 g/mol
Exact Mass439.23
IUPAC Name5-[(2-fluorophenyl)methyl]-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxofuro[3,2-c]pyridine-3-carboxamide
SMILESCc1oc2ccn(Cc3ccccc3F)c(=O)c2c1C(=O)NCCCN1CCCCC1C
InChIInChI=1S/C25H30FN3O3/c1-17-8-5-6-13-28(17)14-7-12-27-24(30)22-18(2)32-21-11-15-29(25(31)23(21)22)16-19-9-3-4-10-20(19)26/h3-4,9-11,15,17H,5-8,12-14,16H2,1-2H3,(H,27,30)
InChIKeyKKDFAZFJKISAOA-UHFFFAOYSA-N
XLogP4.08
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(2-fluorophenyl)methyl]-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxofuro[3,2-c]pyridine-3-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 5-[(2-fluorophenyl)methyl]-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxofuro[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxofuro[3,2-c]pyridine-3-carboxamide (CID 71838232) is 5-[(2-fluorophenyl)methyl]-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxofuro[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxofuro[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxofuro[3,2-c]pyridine-3-carboxamide is Cc1oc2ccn(Cc3ccccc3F)c(=O)c2c1C(=O)NCCCN1CCCCC1C.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxofuro[3,2-c]pyridine-3-carboxamide?
The InChIKey is KKDFAZFJKISAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3/c1-17-8-5-6-13-28(17)14-7-12-27-24(30)22-18(2)32-21-11-15-29(25(31)23(21)22)16-19-9-3-4-10-20(19)26/h3-4,9-11,15,17H,5-8,12-14,16H2,1-2H3,(H,27,30).
What are the key properties of 5-[(2-fluorophenyl)methyl]-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxofuro[3,2-c]pyridine-3-carboxamide?
5-[(2-fluorophenyl)methyl]-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxofuro[3,2-c]pyridine-3-carboxamide has a molecular weight of 439.53 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxofuro[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 71838232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).