N-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide

C21H22FN3O2 — CID 67108857

IUPACN-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CCC[C@]2(CCN(c3cccc(F)c3)C2=O)C1)c1ccncc1
InChIInChI=1S/C21H22FN3O2/c22-16-3-1-5-18(13-16)25-12-9-21(20(25)27)8-2-4-17(14-21)24-19(26)15-6-10-23-11-7-15/h1,3,5-7,10-11,13,17H,2,4,8-9,12,14H2,(H,24,26)/t17-,21-/m0/s1
InChIKeyGKEONSWWCTWDQJ-UWJYYQICSA-N
MW367.42 g/mol
LogP3.32
Rot. Bonds3

About N-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide

N-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide (PubChem CID 67108857) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide
PubChem CID67108857
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CCC[C@]2(CCN(c3cccc(F)c3)C2=O)C1)c1ccncc1
InChIInChI=1S/C21H22FN3O2/c22-16-3-1-5-18(13-16)25-12-9-21(20(25)27)8-2-4-17(14-21)24-19(26)15-6-10-23-11-7-15/h1,3,5-7,10-11,13,17H,2,4,8-9,12,14H2,(H,24,26)/t17-,21-/m0/s1
InChIKeyGKEONSWWCTWDQJ-UWJYYQICSA-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-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide (CID 67108857) is N-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide is O=C(N[C@H]1CCC[C@]2(CCN(c3cccc(F)c3)C2=O)C1)c1ccncc1.
What is the InChIKey of N-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide?
The InChIKey is GKEONSWWCTWDQJ-UWJYYQICSA-N. The full InChI is InChI=1S/C21H22FN3O2/c22-16-3-1-5-18(13-16)25-12-9-21(20(25)27)8-2-4-17(14-21)24-19(26)15-6-10-23-11-7-15/h1,3,5-7,10-11,13,17H,2,4,8-9,12,14H2,(H,24,26)/t17-,21-/m0/s1.
What are the key properties of N-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide?
N-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-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-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide is sourced from PubChem (CID 67108857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).