5-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)furo[3,2-c]pyridine-3-carboxamide

C22H18FN3O3 — CID 71838230

IUPAC5-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)furo[3,2-c]pyridine-3-carboxamide
SMILESCc1oc2ccn(Cc3ccccc3F)c(=O)c2c1C(=O)NCc1cccnc1
InChIInChI=1S/C22H18FN3O3/c1-14-19(21(27)25-12-15-5-4-9-24-11-15)20-18(29-14)8-10-26(22(20)28)13-16-6-2-3-7-17(16)23/h2-11H,12-13H2,1H3,(H,25,27)
InChIKeyZWDIJRDHUKTDOD-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.42
Rot. Bonds5

About 5-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)furo[3,2-c]pyridine-3-carboxamide

5-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)furo[3,2-c]pyridine-3-carboxamide (PubChem CID 71838230) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)furo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)furo[3,2-c]pyridine-3-carboxamide
PubChem CID71838230
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC Name5-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)furo[3,2-c]pyridine-3-carboxamide
SMILESCc1oc2ccn(Cc3ccccc3F)c(=O)c2c1C(=O)NCc1cccnc1
InChIInChI=1S/C22H18FN3O3/c1-14-19(21(27)25-12-15-5-4-9-24-11-15)20-18(29-14)8-10-26(22(20)28)13-16-6-2-3-7-17(16)23/h2-11H,12-13H2,1H3,(H,25,27)
InChIKeyZWDIJRDHUKTDOD-UHFFFAOYSA-N
XLogP3.42
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)furo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)furo[3,2-c]pyridine-3-carboxamide (CID 71838230) is 5-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)furo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)furo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)furo[3,2-c]pyridine-3-carboxamide is Cc1oc2ccn(Cc3ccccc3F)c(=O)c2c1C(=O)NCc1cccnc1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)furo[3,2-c]pyridine-3-carboxamide?
The InChIKey is ZWDIJRDHUKTDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3/c1-14-19(21(27)25-12-15-5-4-9-24-11-15)20-18(29-14)8-10-26(22(20)28)13-16-6-2-3-7-17(16)23/h2-11H,12-13H2,1H3,(H,25,27).
What are the key properties of 5-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)furo[3,2-c]pyridine-3-carboxamide?
5-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)furo[3,2-c]pyridine-3-carboxamide has a molecular weight of 391.40 g/mol, XLogP of 3.42, 5 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-4-oxo-N-(pyridin-3-ylmethyl)furo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 71838230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).