4-[2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide

C27H28FN3O3 — CID 134216187

IUPAC4-[2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide
SMILESNc1ncc(C2CCC3(CC2)OCCO3)cc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1
InChIInChI=1S/C27H28FN3O3/c28-24-15-20(6-7-22(24)26(32)31-16-18-4-2-1-3-5-18)23-14-21(17-30-25(23)29)19-8-10-27(11-9-19)33-12-13-34-27/h1-7,14-15,17,19H,8-13,16H2,(H2,29,30)(H,31,32)
InChIKeyWLVPOSRQSREXCQ-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.80
Rot. Bonds5

About 4-[2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide

4-[2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide (PubChem CID 134216187) has the molecular formula C27H28FN3O3 and a molecular weight of 461.54 g/mol. Its IUPAC name is 4-[2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-[2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide
PubChem CID134216187
Molecular FormulaC27H28FN3O3
Molecular Weight461.54 g/mol
Exact Mass461.21
IUPAC Name4-[2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide
SMILESNc1ncc(C2CCC3(CC2)OCCO3)cc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1
InChIInChI=1S/C27H28FN3O3/c28-24-15-20(6-7-22(24)26(32)31-16-18-4-2-1-3-5-18)23-14-21(17-30-25(23)29)19-8-10-27(11-9-19)33-12-13-34-27/h1-7,14-15,17,19H,8-13,16H2,(H2,29,30)(H,31,32)
InChIKeyWLVPOSRQSREXCQ-UHFFFAOYSA-N
XLogP4.80
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide with MolForge

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Related Compounds

4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-N-benzyl-2-fluorobenzamide
CID 144840517
4-[2-amino-5-(1,1-dioxothian-4-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide
CID 118045524
N-[(Z,2E)-4-amino-2-(aminomethylidene)but-3-enyl]-4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorobenzamide
CID 144840311
4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide
CID 134503879
4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide;methanol
CID 144840400
4-[2-amino-5-(1-oxothian-4-yl)-3-pyridinyl]-2-fluorobenzoic acid
CID 118054612
N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorobenzamide
CID 134220716
4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-benzylbenzamide;4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[[3-(dimethylamino)phenyl]methyl]benzamide;4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluoro-N-(pyrazin-2-ylmethyl)benzamide;4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide
CID 159765726
4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 123783299
4-[2-amino-5-[(3R)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluorobenzoic acid
CID 125468804
methyl 3-[6-amino-5-[3-fluoro-4-[(2-hydroxy-1-phenylethyl)carbamoyl]phenyl]-3-pyridinyl]pyrrolidine-1-carboxylate
CID 123447317
1-[4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorophenyl]-3-pyrazin-2-ylpropan-1-one
CID 134216128

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide?
The IUPAC name of 4-[2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide (CID 134216187) is 4-[2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide.
What is the SMILES notation for 4-[2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide?
The canonical SMILES for 4-[2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide is Nc1ncc(C2CCC3(CC2)OCCO3)cc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1.
What is the InChIKey of 4-[2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide?
The InChIKey is WLVPOSRQSREXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O3/c28-24-15-20(6-7-22(24)26(32)31-16-18-4-2-1-3-5-18)23-14-21(17-30-25(23)29)19-8-10-27(11-9-19)33-12-13-34-27/h1-7,14-15,17,19H,8-13,16H2,(H2,29,30)(H,31,32).
What are the key properties of 4-[2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide?
4-[2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide has a molecular weight of 461.54 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide is sourced from PubChem (CID 134216187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).