N-(3-fluorophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide

C21H24FN5O2 — CID 3233083

IUPACN-(3-fluorophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCCC2(CCN(C(=O)c3cnccn3)CC2)C1
InChIInChI=1S/C21H24FN5O2/c22-16-3-1-4-17(13-16)25-20(29)27-10-2-5-21(15-27)6-11-26(12-7-21)19(28)18-14-23-8-9-24-18/h1,3-4,8-9,13-14H,2,5-7,10-12,15H2,(H,25,29)
InChIKeyVNCFNQCJALZZEL-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.17
Rot. Bonds2

About N-(3-fluorophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide

N-(3-fluorophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide (PubChem CID 3233083) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-(3-fluorophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
PubChem CID3233083
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC NameN-(3-fluorophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCCC2(CCN(C(=O)c3cnccn3)CC2)C1
InChIInChI=1S/C21H24FN5O2/c22-16-3-1-4-17(13-16)25-20(29)27-10-2-5-21(15-27)6-11-26(12-7-21)19(28)18-14-23-8-9-24-18/h1,3-4,8-9,13-14H,2,5-7,10-12,15H2,(H,25,29)
InChIKeyVNCFNQCJALZZEL-UHFFFAOYSA-N
XLogP3.17
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide (CID 3233083) is N-(3-fluorophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide is O=C(Nc1cccc(F)c1)N1CCCC2(CCN(C(=O)c3cnccn3)CC2)C1.
What is the InChIKey of N-(3-fluorophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide?
The InChIKey is VNCFNQCJALZZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c22-16-3-1-4-17(13-16)25-20(29)27-10-2-5-21(15-27)6-11-26(12-7-21)19(28)18-14-23-8-9-24-18/h1,3-4,8-9,13-14H,2,5-7,10-12,15H2,(H,25,29).
What are the key properties of N-(3-fluorophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide?
N-(3-fluorophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 3233083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).