5-[(4-fluorophenyl)methyl]-2-methyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide

C24H32FN3O2 — CID 95112171

IUPAC5-[(4-fluorophenyl)methyl]-2-methyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCC[C@@H](C)N1CCCC1)CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C24H32FN3O2/c1-17(28-12-3-4-13-28)9-11-26-24(29)23-18(2)30-22-10-14-27(16-21(22)23)15-19-5-7-20(25)8-6-19/h5-8,17H,3-4,9-16H2,1-2H3,(H,26,29)/t17-/m1/s1
InChIKeyXUTYKLMRLLKZSR-QGZVFWFLSA-N
MW413.54 g/mol
LogP3.89
Rot. Bonds7

About 5-[(4-fluorophenyl)methyl]-2-methyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide

5-[(4-fluorophenyl)methyl]-2-methyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide (PubChem CID 95112171) has the molecular formula C24H32FN3O2 and a molecular weight of 413.54 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-2-methyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-2-methyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
PubChem CID95112171
Molecular FormulaC24H32FN3O2
Molecular Weight413.54 g/mol
Exact Mass413.25
IUPAC Name5-[(4-fluorophenyl)methyl]-2-methyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCC[C@@H](C)N1CCCC1)CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C24H32FN3O2/c1-17(28-12-3-4-13-28)9-11-26-24(29)23-18(2)30-22-10-14-27(16-21(22)23)15-19-5-7-20(25)8-6-19/h5-8,17H,3-4,9-16H2,1-2H3,(H,26,29)/t17-/m1/s1
InChIKeyXUTYKLMRLLKZSR-QGZVFWFLSA-N
XLogP3.89
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-fluorophenyl)methyl]-2-methyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide with MolForge

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Related Compounds

methyl 2-[[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]amino]acetate
CID 53194106
5-benzyl-2-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
CID 53194011
ethyl (3R)-1-[2-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate
CID 95112154
N-[2-(azepan-1-yl)ethyl]-5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 55613537
2,4,5-trimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 38710650
N-[3-(4-fluorophenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 46773438
ethyl (3S)-1-[5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate
CID 95112159
(5-benzyl-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 53194005
4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 55960708
3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 110620424
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 53279578
5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903292

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-2-methyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-2-methyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide (CID 95112171) is 5-[(4-fluorophenyl)methyl]-2-methyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-2-methyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-2-methyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide is Cc1oc2c(c1C(=O)NCC[C@@H](C)N1CCCC1)CN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-2-methyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The InChIKey is XUTYKLMRLLKZSR-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H32FN3O2/c1-17(28-12-3-4-13-28)9-11-26-24(29)23-18(2)30-22-10-14-27(16-21(22)23)15-19-5-7-20(25)8-6-19/h5-8,17H,3-4,9-16H2,1-2H3,(H,26,29)/t17-/m1/s1.
What are the key properties of 5-[(4-fluorophenyl)methyl]-2-methyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
5-[(4-fluorophenyl)methyl]-2-methyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-2-methyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 95112171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).