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

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

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Related Compounds

2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide
CID 17248960
2-(pyridin-4-yl)-4H,5H,6H,7H-furo[3,2-c]pyridin-4-one
CID 24778303
2-(4-Pyridinyl)furo[3,2-C]pyridin-4(5h)-One
CID 53245729
2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 2080643
2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4794993
N-[2-(5-methyl-2-furyl)-1-({[2-(2-pyridinyl)ethyl]amino}carbonyl)vinyl]benzamide
CID 11840058
2-(4-Fluoro-phenoxy)-N-(4-methoxy-benzyl)-nicotinamide
CID 9884857
2-(4-fluorophenoxy)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 14555282
6-methyl-3-(2-methylpropyl)-N-(5-methylpyridin-2-yl)-4-oxo-3,4-dihydrofuro[2,3-d]pyrimidine-5-carboxamide
CID 16023780
(4-Fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-furan-3-yl-methanone
CID 42606461
Benzofuran-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606573
5-(3-(tert-butylcarbamoyl)phenyl)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 59233666

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).