1'-(4-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxamide

C25H25FN4O2 — CID 69400679

IUPAC1'-(4-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxamide
SMILESNc1ccnc(N2CCC3(CC2)c2ccccc2OC3C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C25H25FN4O2/c26-20-7-3-1-5-17(20)16-29-24(31)23-25(19-6-2-4-8-21(19)32-23)10-13-30(14-11-25)22-15-18(27)9-12-28-22/h1-9,12,15,23H,10-11,13-14,16H2,(H2,27,28)(H,29,31)
InChIKeyWHYYNQWBZGBMHX-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.42
Rot. Bonds4

About 1'-(4-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxamide

1'-(4-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxamide (PubChem CID 69400679) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 1'-(4-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxamide.

Molecular Properties

Compound Name1'-(4-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxamide
PubChem CID69400679
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name1'-(4-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxamide
SMILESNc1ccnc(N2CCC3(CC2)c2ccccc2OC3C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C25H25FN4O2/c26-20-7-3-1-5-17(20)16-29-24(31)23-25(19-6-2-4-8-21(19)32-23)10-13-30(14-11-25)22-15-18(27)9-12-28-22/h1-9,12,15,23H,10-11,13-14,16H2,(H2,27,28)(H,29,31)
InChIKeyWHYYNQWBZGBMHX-UHFFFAOYSA-N
XLogP3.42
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1'-(4-amino-2-pyridinyl)-N-[(2-chlorophenyl)methyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxamide
CID 69401068
N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51274238
N-[(2-fluorophenyl)methyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186022
N-[1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 71193378
2-[7-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]pyridin-4-amine
CID 71193560
N-[(2-fluorophenyl)methyl]-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975668
N-[(2-fluorophenyl)methyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108531549
N-[(1R)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-2-carboxamide
CID 69401295
1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 24651164
(2S,3S)-2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 36758529
6-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109345863
N-[(2-fluorophenyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 56764965

Frequently Asked Questions

What is the IUPAC name of 1'-(4-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxamide?
The IUPAC name of 1'-(4-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxamide (CID 69400679) is 1'-(4-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxamide.
What is the SMILES notation for 1'-(4-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxamide?
The canonical SMILES for 1'-(4-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxamide is Nc1ccnc(N2CCC3(CC2)c2ccccc2OC3C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 1'-(4-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxamide?
The InChIKey is WHYYNQWBZGBMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c26-20-7-3-1-5-17(20)16-29-24(31)23-25(19-6-2-4-8-21(19)32-23)10-13-30(14-11-25)22-15-18(27)9-12-28-22/h1-9,12,15,23H,10-11,13-14,16H2,(H2,27,28)(H,29,31).
What are the key properties of 1'-(4-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxamide?
1'-(4-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxamide is sourced from PubChem (CID 69400679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).