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

C22H22FN3O2 — CID 91925076

IUPAC5-[(3-fluorophenyl)methyl]-2-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCc1ccncc1)CN(Cc1cccc(F)c1)CC2
InChIInChI=1S/C22H22FN3O2/c1-15-21(22(27)25-12-16-5-8-24-9-6-16)19-14-26(10-7-20(19)28-15)13-17-3-2-4-18(23)11-17/h2-6,8-9,11H,7,10,12-14H2,1H3,(H,25,27)
InChIKeyNZMRDCDJDVGKMW-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.61
Rot. Bonds5

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

5-[(3-fluorophenyl)methyl]-2-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide (PubChem CID 91925076) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-2-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-2-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
PubChem CID91925076
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name5-[(3-fluorophenyl)methyl]-2-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCc1ccncc1)CN(Cc1cccc(F)c1)CC2
InChIInChI=1S/C22H22FN3O2/c1-15-21(22(27)25-12-16-5-8-24-9-6-16)19-14-26(10-7-20(19)28-15)13-17-3-2-4-18(23)11-17/h2-6,8-9,11H,7,10,12-14H2,1H3,(H,25,27)
InChIKeyNZMRDCDJDVGKMW-UHFFFAOYSA-N
XLogP3.61
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-2-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-2-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide (CID 91925076) is 5-[(3-fluorophenyl)methyl]-2-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-2-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-2-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide is Cc1oc2c(c1C(=O)NCc1ccncc1)CN(Cc1cccc(F)c1)CC2.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-2-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The InChIKey is NZMRDCDJDVGKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-15-21(22(27)25-12-16-5-8-24-9-6-16)19-14-26(10-7-20(19)28-15)13-17-3-2-4-18(23)11-17/h2-6,8-9,11H,7,10,12-14H2,1H3,(H,25,27).
What are the key properties of 5-[(3-fluorophenyl)methyl]-2-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
5-[(3-fluorophenyl)methyl]-2-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-2-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 91925076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).