N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide

C21H22FN3O2 — CID 58237396

IUPACN-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@@]2(CCN(c3cccc(F)c3)C2=O)C1)c1ccccn1
InChIInChI=1S/C21H22FN3O2/c22-15-5-3-7-17(13-15)25-12-10-21(20(25)27)9-4-6-16(14-21)24-19(26)18-8-1-2-11-23-18/h1-3,5,7-8,11,13,16H,4,6,9-10,12,14H2,(H,24,26)/t16-,21+/m0/s1
InChIKeyOIMNGVMXTAULKS-HRAATJIYSA-N
MW367.42 g/mol
LogP3.32
Rot. Bonds3

About N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide

N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide (PubChem CID 58237396) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
PubChem CID58237396
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@@]2(CCN(c3cccc(F)c3)C2=O)C1)c1ccccn1
InChIInChI=1S/C21H22FN3O2/c22-15-5-3-7-17(13-15)25-12-10-21(20(25)27)9-4-6-16(14-21)24-19(26)18-8-1-2-11-23-18/h1-3,5,7-8,11,13,16H,4,6,9-10,12,14H2,(H,24,26)/t16-,21+/m0/s1
InChIKeyOIMNGVMXTAULKS-HRAATJIYSA-N
XLogP3.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide (CID 58237396) is N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide is O=C(N[C@H]1CCC[C@@]2(CCN(c3cccc(F)c3)C2=O)C1)c1ccccn1.
What is the InChIKey of N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide?
The InChIKey is OIMNGVMXTAULKS-HRAATJIYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c22-15-5-3-7-17(13-15)25-12-10-21(20(25)27)9-4-6-16(14-21)24-19(26)18-8-1-2-11-23-18/h1-3,5,7-8,11,13,16H,4,6,9-10,12,14H2,(H,24,26)/t16-,21+/m0/s1.
What are the key properties of N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide?
N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide is sourced from PubChem (CID 58237396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).