5-[(3-fluorophenyl)methyl]-2-methyl-4-oxo-N-(1-pyridin-2-ylethyl)furo[3,2-c]pyridine-3-carboxamide

C23H20FN3O3 — CID 71838241

IUPAC5-[(3-fluorophenyl)methyl]-2-methyl-4-oxo-N-(1-pyridin-2-ylethyl)furo[3,2-c]pyridine-3-carboxamide
SMILESCc1oc2ccn(Cc3cccc(F)c3)c(=O)c2c1C(=O)NC(C)c1ccccn1
InChIInChI=1S/C23H20FN3O3/c1-14(18-8-3-4-10-25-18)26-22(28)20-15(2)30-19-9-11-27(23(29)21(19)20)13-16-6-5-7-17(24)12-16/h3-12,14H,13H2,1-2H3,(H,26,28)
InChIKeyOQAOJDWWQKRVAN-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.98
Rot. Bonds5

About 5-[(3-fluorophenyl)methyl]-2-methyl-4-oxo-N-(1-pyridin-2-ylethyl)furo[3,2-c]pyridine-3-carboxamide

5-[(3-fluorophenyl)methyl]-2-methyl-4-oxo-N-(1-pyridin-2-ylethyl)furo[3,2-c]pyridine-3-carboxamide (PubChem CID 71838241) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-2-methyl-4-oxo-N-(1-pyridin-2-ylethyl)furo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-2-methyl-4-oxo-N-(1-pyridin-2-ylethyl)furo[3,2-c]pyridine-3-carboxamide
PubChem CID71838241
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name5-[(3-fluorophenyl)methyl]-2-methyl-4-oxo-N-(1-pyridin-2-ylethyl)furo[3,2-c]pyridine-3-carboxamide
SMILESCc1oc2ccn(Cc3cccc(F)c3)c(=O)c2c1C(=O)NC(C)c1ccccn1
InChIInChI=1S/C23H20FN3O3/c1-14(18-8-3-4-10-25-18)26-22(28)20-15(2)30-19-9-11-27(23(29)21(19)20)13-16-6-5-7-17(24)12-16/h3-12,14H,13H2,1-2H3,(H,26,28)
InChIKeyOQAOJDWWQKRVAN-UHFFFAOYSA-N
XLogP3.98
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide
CID 17248960
N-{2-Furan-2-yl-1-[(pyridin-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5765254
(2Z)-3-(Furan-2-YL)-2-(phenylformamido)-N-[2-(pyridin-2-YL)ethyl]prop-2-enamide
CID 5765256
2-(4-Pyridinyl)furo[3,2-C]pyridin-4(5h)-One
CID 53245729
N-[2-(5-methyl-2-furyl)-1-({[2-(2-pyridinyl)ethyl]amino}carbonyl)vinyl]benzamide
CID 11840058
(4-Fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-furan-3-yl-methanone
CID 42606461
(5-Bromofuran-3-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 42606571
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
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275242
2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275359
2-methyl-N-(pyridin-3-yl)furan-3-carboxamide
CID 573291

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-2-methyl-4-oxo-N-(1-pyridin-2-ylethyl)furo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-2-methyl-4-oxo-N-(1-pyridin-2-ylethyl)furo[3,2-c]pyridine-3-carboxamide (CID 71838241) is 5-[(3-fluorophenyl)methyl]-2-methyl-4-oxo-N-(1-pyridin-2-ylethyl)furo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-2-methyl-4-oxo-N-(1-pyridin-2-ylethyl)furo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-2-methyl-4-oxo-N-(1-pyridin-2-ylethyl)furo[3,2-c]pyridine-3-carboxamide is Cc1oc2ccn(Cc3cccc(F)c3)c(=O)c2c1C(=O)NC(C)c1ccccn1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-2-methyl-4-oxo-N-(1-pyridin-2-ylethyl)furo[3,2-c]pyridine-3-carboxamide?
The InChIKey is OQAOJDWWQKRVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-14(18-8-3-4-10-25-18)26-22(28)20-15(2)30-19-9-11-27(23(29)21(19)20)13-16-6-5-7-17(24)12-16/h3-12,14H,13H2,1-2H3,(H,26,28).
What are the key properties of 5-[(3-fluorophenyl)methyl]-2-methyl-4-oxo-N-(1-pyridin-2-ylethyl)furo[3,2-c]pyridine-3-carboxamide?
5-[(3-fluorophenyl)methyl]-2-methyl-4-oxo-N-(1-pyridin-2-ylethyl)furo[3,2-c]pyridine-3-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-2-methyl-4-oxo-N-(1-pyridin-2-ylethyl)furo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 71838241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).