7-[(3-fluoro-4-methylphenyl)methyl]-N-(oxan-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide

C21H23FN2O3 — CID 146549623

IUPAC7-[(3-fluoro-4-methylphenyl)methyl]-N-(oxan-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
SMILESCc1ccc(Cc2cc(C(=O)NC3CCOCC3)nc3c2OCC3)cc1F
InChIInChI=1S/C21H23FN2O3/c1-13-2-3-14(11-17(13)22)10-15-12-19(24-18-6-9-27-20(15)18)21(25)23-16-4-7-26-8-5-16/h2-3,11-12,16H,4-10H2,1H3,(H,23,25)
InChIKeyBEWMAHNCLXXCJR-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.96
Rot. Bonds4

About 7-[(3-fluoro-4-methylphenyl)methyl]-N-(oxan-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide

7-[(3-fluoro-4-methylphenyl)methyl]-N-(oxan-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide (PubChem CID 146549623) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 7-[(3-fluoro-4-methylphenyl)methyl]-N-(oxan-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-[(3-fluoro-4-methylphenyl)methyl]-N-(oxan-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
PubChem CID146549623
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name7-[(3-fluoro-4-methylphenyl)methyl]-N-(oxan-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
SMILESCc1ccc(Cc2cc(C(=O)NC3CCOCC3)nc3c2OCC3)cc1F
InChIInChI=1S/C21H23FN2O3/c1-13-2-3-14(11-17(13)22)10-15-12-19(24-18-6-9-27-20(15)18)21(25)23-16-4-7-26-8-5-16/h2-3,11-12,16H,4-10H2,1H3,(H,23,25)
InChIKeyBEWMAHNCLXXCJR-UHFFFAOYSA-N
XLogP2.96
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[(3-fluoro-4-methylphenyl)methyl]-N-(oxan-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide with MolForge

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Related Compounds

7-[(3-fluoro-4-propanoylphenyl)methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
CID 159519035
tert-butyl 2-fluoro-4-[[5-[[(3R,4S)-3-hydroxyoxan-4-yl]carbamoyl]-2,3-dihydrofuro[3,2-b]pyridin-7-yl]methyl]benzoate
CID 142503745
7-[[3-fluoro-4-[2-(4-hydroxyphenyl)acetyl]phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
CID 160882252
7-[[4-(cyclopentylmethylcarbamoyl)-3-fluorophenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
CID 146499960
S-propan-2-yl 4-[2-fluoro-4-[[5-[[(3R,4S)-3-hydroxyoxan-4-yl]carbamoyl]-2,3-dihydrofuro[3,2-b]pyridin-7-yl]methyl]phenyl]-4-oxobutanethioate
CID 160828907
5-[[3-fluoro-4-(oxetan-3-ylcarbamoyl)phenyl]methyl]-4-methyl-N-(oxan-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 166684914
N-[(3R,4S)-3-hydroxyoxan-4-yl]-7-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
CID 142503659
6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133381848
N-cyclohexyl-8-[(2-fluoro-4-pyridinyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
CID 134312560
(Z)-5-(3-fluoro-4-methylphenyl)-4-(4-methyl-2,3-dihydrofuran-5-yl)-2-methylidene-N-(oxan-4-yl)pent-3-enamide
CID 146550514
N-cyclohexyl-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
CID 134312591
2-(4-methylphenyl)-N-(oxan-4-yl)acetamide
CID 110726863

Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluoro-4-methylphenyl)methyl]-N-(oxan-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide?
The IUPAC name of 7-[(3-fluoro-4-methylphenyl)methyl]-N-(oxan-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide (CID 146549623) is 7-[(3-fluoro-4-methylphenyl)methyl]-N-(oxan-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for 7-[(3-fluoro-4-methylphenyl)methyl]-N-(oxan-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for 7-[(3-fluoro-4-methylphenyl)methyl]-N-(oxan-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide is Cc1ccc(Cc2cc(C(=O)NC3CCOCC3)nc3c2OCC3)cc1F.
What is the InChIKey of 7-[(3-fluoro-4-methylphenyl)methyl]-N-(oxan-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide?
The InChIKey is BEWMAHNCLXXCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-13-2-3-14(11-17(13)22)10-15-12-19(24-18-6-9-27-20(15)18)21(25)23-16-4-7-26-8-5-16/h2-3,11-12,16H,4-10H2,1H3,(H,23,25).
What are the key properties of 7-[(3-fluoro-4-methylphenyl)methyl]-N-(oxan-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide?
7-[(3-fluoro-4-methylphenyl)methyl]-N-(oxan-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluoro-4-methylphenyl)methyl]-N-(oxan-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 146549623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).