N-cyclopentyl-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide

C21H25FN2O2 — CID 53194082

IUPACN-cyclopentyl-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
SMILESCc1oc2c(c1C(=O)NC1CCCC1)CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C21H25FN2O2/c1-14-20(21(25)23-17-4-2-3-5-17)18-13-24(11-10-19(18)26-14)12-15-6-8-16(22)9-7-15/h6-9,17H,2-5,10-13H2,1H3,(H,23,25)
InChIKeyYQKQLOPDGCTRCU-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.96
Rot. Bonds4

About N-cyclopentyl-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide

N-cyclopentyl-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide (PubChem CID 53194082) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-cyclopentyl-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
PubChem CID53194082
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-cyclopentyl-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
SMILESCc1oc2c(c1C(=O)NC1CCCC1)CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C21H25FN2O2/c1-14-20(21(25)23-17-4-2-3-5-17)18-13-24(11-10-19(18)26-14)12-15-6-8-16(22)9-7-15/h6-9,17H,2-5,10-13H2,1H3,(H,23,25)
InChIKeyYQKQLOPDGCTRCU-UHFFFAOYSA-N
XLogP3.96
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide (CID 53194082) is N-cyclopentyl-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide is Cc1oc2c(c1C(=O)NC1CCCC1)CN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of N-cyclopentyl-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The InChIKey is YQKQLOPDGCTRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-14-20(21(25)23-17-4-2-3-5-17)18-13-24(11-10-19(18)26-14)12-15-6-8-16(22)9-7-15/h6-9,17H,2-5,10-13H2,1H3,(H,23,25).
What are the key properties of N-cyclopentyl-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
N-cyclopentyl-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 53194082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).