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

C22H24N6O2 — CID 3233698

IUPACN-(3-cyanophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCCC3(CCN(C(=O)c4cnccn4)CC3)C2)c1
InChIInChI=1S/C22H24N6O2/c23-14-17-3-1-4-18(13-17)26-21(30)28-10-2-5-22(16-28)6-11-27(12-7-22)20(29)19-15-24-8-9-25-19/h1,3-4,8-9,13,15H,2,5-7,10-12,16H2,(H,26,30)
InChIKeyGILGQQWUUFWOKA-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.90
Rot. Bonds2

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

N-(3-cyanophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide (PubChem CID 3233698) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(3-cyanophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
PubChem CID3233698
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-(3-cyanophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCCC3(CCN(C(=O)c4cnccn4)CC3)C2)c1
InChIInChI=1S/C22H24N6O2/c23-14-17-3-1-4-18(13-17)26-21(30)28-10-2-5-22(16-28)6-11-27(12-7-22)20(29)19-15-24-8-9-25-19/h1,3-4,8-9,13,15H,2,5-7,10-12,16H2,(H,26,30)
InChIKeyGILGQQWUUFWOKA-UHFFFAOYSA-N
XLogP2.90
TPSA102.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-9-(1-methylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 3233533
(5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234690
N-(3-cyanophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90510914
[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
CID 97370481
N-(3-cyanophenyl)-7-(2-methoxyacetyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3233668
furan-2-yl-[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methanone
CID 97370476
pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235354
N-(3-cyanophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
CID 109098880
3-[[6-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109196849
pyrazin-2-yl-[(5R)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450157
N-(4-chlorophenyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 110813242
N-(4-methyl-3-pyridinyl)-2-azaspiro[4.4]nonane-2-carboxamide
CID 146084717

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide (CID 3233698) is N-(3-cyanophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide is N#Cc1cccc(NC(=O)N2CCCC3(CCN(C(=O)c4cnccn4)CC3)C2)c1.
What is the InChIKey of N-(3-cyanophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide?
The InChIKey is GILGQQWUUFWOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c23-14-17-3-1-4-18(13-17)26-21(30)28-10-2-5-22(16-28)6-11-27(12-7-22)20(29)19-15-24-8-9-25-19/h1,3-4,8-9,13,15H,2,5-7,10-12,16H2,(H,26,30).
What are the key properties of N-(3-cyanophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide?
N-(3-cyanophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 3233698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).