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

C22H27FN2O2 — CID 91912771

IUPACN-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylprop-2-enyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1c(C)oc2c1CN(Cc1cccc(F)c1)CC2
InChIInChI=1S/C22H27FN2O2/c1-5-25(12-15(2)3)22(26)21-16(4)27-20-9-10-24(14-19(20)21)13-17-7-6-8-18(23)11-17/h6-8,11H,2,5,9-10,12-14H2,1,3-4H3
InChIKeyFEYCTBJSSQWWCQ-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.32
Rot. Bonds6

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

N-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylprop-2-enyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide (PubChem CID 91912771) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylprop-2-enyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylprop-2-enyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
PubChem CID91912771
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylprop-2-enyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1c(C)oc2c1CN(Cc1cccc(F)c1)CC2
InChIInChI=1S/C22H27FN2O2/c1-5-25(12-15(2)3)22(26)21-16(4)27-20-9-10-24(14-19(20)21)13-17-7-6-8-18(23)11-17/h6-8,11H,2,5,9-10,12-14H2,1,3-4H3
InChIKeyFEYCTBJSSQWWCQ-UHFFFAOYSA-N
XLogP4.32
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylprop-2-enyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylprop-2-enyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide (CID 91912771) is N-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylprop-2-enyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylprop-2-enyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylprop-2-enyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide is C=C(C)CN(CC)C(=O)c1c(C)oc2c1CN(Cc1cccc(F)c1)CC2.
What is the InChIKey of N-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylprop-2-enyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The InChIKey is FEYCTBJSSQWWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-5-25(12-15(2)3)22(26)21-16(4)27-20-9-10-24(14-19(20)21)13-17-7-6-8-18(23)11-17/h6-8,11H,2,5,9-10,12-14H2,1,3-4H3.
What are the key properties of N-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylprop-2-enyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
N-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylprop-2-enyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylprop-2-enyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 91912771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).