methyl 2-[[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]amino]acetate

C19H21FN2O4 — CID 53194106

IUPACmethyl 2-[[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1c(C)oc2c1CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C19H21FN2O4/c1-12-18(19(24)21-9-17(23)25-2)15-11-22(8-7-16(15)26-12)10-13-3-5-14(20)6-4-13/h3-6H,7-11H2,1-2H3,(H,21,24)
InChIKeyMPVLYPSNNZYGOR-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.19
Rot. Bonds5

About methyl 2-[[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]amino]acetate

methyl 2-[[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]amino]acetate (PubChem CID 53194106) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is methyl 2-[[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]amino]acetate
PubChem CID53194106
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Namemethyl 2-[[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1c(C)oc2c1CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C19H21FN2O4/c1-12-18(19(24)21-9-17(23)25-2)15-11-22(8-7-16(15)26-12)10-13-3-5-14(20)6-4-13/h3-6H,7-11H2,1-2H3,(H,21,24)
InChIKeyMPVLYPSNNZYGOR-UHFFFAOYSA-N
XLogP2.19
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]amino]acetate (CID 53194106) is methyl 2-[[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]amino]acetate is COC(=O)CNC(=O)c1c(C)oc2c1CN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of methyl 2-[[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]amino]acetate?
The InChIKey is MPVLYPSNNZYGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-12-18(19(24)21-9-17(23)25-2)15-11-22(8-7-16(15)26-12)10-13-3-5-14(20)6-4-13/h3-6H,7-11H2,1-2H3,(H,21,24).
What are the key properties of methyl 2-[[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]amino]acetate?
methyl 2-[[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]amino]acetate has a molecular weight of 360.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]amino]acetate is sourced from PubChem (CID 53194106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).