2-(3-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-N-(pyridin-2-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide

C26H25FN4O3 — CID 143644299

IUPAC2-(3-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-N-(pyridin-2-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESO=C(NCc1ccccn1)N1CCC2(CC1)C(=O)N(c1cccc(F)c1)C2c1ccc(O)cc1
InChIInChI=1S/C26H25FN4O3/c27-19-4-3-6-21(16-19)31-23(18-7-9-22(32)10-8-18)26(24(31)33)11-14-30(15-12-26)25(34)29-17-20-5-1-2-13-28-20/h1-10,13,16,23,32H,11-12,14-15,17H2,(H,29,34)
InChIKeyRMSMNJOBTGVXAF-UHFFFAOYSA-N
MW460.51 g/mol
LogP4.01
Rot. Bonds4

About 2-(3-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-N-(pyridin-2-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide

2-(3-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-N-(pyridin-2-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 143644299) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-N-(pyridin-2-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-N-(pyridin-2-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID143644299
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC Name2-(3-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-N-(pyridin-2-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESO=C(NCc1ccccn1)N1CCC2(CC1)C(=O)N(c1cccc(F)c1)C2c1ccc(O)cc1
InChIInChI=1S/C26H25FN4O3/c27-19-4-3-6-21(16-19)31-23(18-7-9-22(32)10-8-18)26(24(31)33)11-14-30(15-12-26)25(34)29-17-20-5-1-2-13-28-20/h1-10,13,16,23,32H,11-12,14-15,17H2,(H,29,34)
InChIKeyRMSMNJOBTGVXAF-UHFFFAOYSA-N
XLogP4.01
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(benzylamino)-cyclopropylidenemethyl]-2-(3-fluorophenyl)-1-(4-hydroxyphenyl)-2,7-diazaspiro[3.5]nonan-3-one;ethane
CID 143644476
1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea
CID 16819860
N-[(3-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 70306745
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108387
4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 111109548
4-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 134056810
N-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]acetamide
CID 24955070
1-(4-chlorophenyl)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 59688484
4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113103329
1,2-bis(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 70304123
2-[(E)-1-(ethylideneamino)but-1-en-2-yl]-N-[(4-fluorophenyl)methyl]-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 143644344

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-N-(pyridin-2-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-N-(pyridin-2-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 143644299) is 2-(3-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-N-(pyridin-2-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-N-(pyridin-2-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-N-(pyridin-2-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide is O=C(NCc1ccccn1)N1CCC2(CC1)C(=O)N(c1cccc(F)c1)C2c1ccc(O)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-N-(pyridin-2-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is RMSMNJOBTGVXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c27-19-4-3-6-21(16-19)31-23(18-7-9-22(32)10-8-18)26(24(31)33)11-14-30(15-12-26)25(34)29-17-20-5-1-2-13-28-20/h1-10,13,16,23,32H,11-12,14-15,17H2,(H,29,34).
What are the key properties of 2-(3-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-N-(pyridin-2-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?
2-(3-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-N-(pyridin-2-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxo-N-(pyridin-2-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 143644299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).