N-(3-cyanophenyl)-3-oxo-1,2-dipyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C25H22N6O2 — CID 59688472

IUPACN-(3-cyanophenyl)-3-oxo-1,2-dipyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCC3(CC2)C(=O)N(c2ccccn2)C3c2ccccn2)c1
InChIInChI=1S/C25H22N6O2/c26-17-18-6-5-7-19(16-18)29-24(33)30-14-10-25(11-15-30)22(20-8-1-3-12-27-20)31(23(25)32)21-9-2-4-13-28-21/h1-9,12-13,16,22H,10-11,14-15H2,(H,29,33)
InChIKeyOAWZZSVUWFIWND-UHFFFAOYSA-N
MW438.49 g/mol
LogP3.75
Rot. Bonds3

About N-(3-cyanophenyl)-3-oxo-1,2-dipyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide

N-(3-cyanophenyl)-3-oxo-1,2-dipyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 59688472) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-oxo-1,2-dipyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-oxo-1,2-dipyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID59688472
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC NameN-(3-cyanophenyl)-3-oxo-1,2-dipyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCC3(CC2)C(=O)N(c2ccccn2)C3c2ccccn2)c1
InChIInChI=1S/C25H22N6O2/c26-17-18-6-5-7-19(16-18)29-24(33)30-14-10-25(11-15-30)22(20-8-1-3-12-27-20)31(23(25)32)21-9-2-4-13-28-21/h1-9,12-13,16,22H,10-11,14-15H2,(H,29,33)
InChIKeyOAWZZSVUWFIWND-UHFFFAOYSA-N
XLogP3.75
TPSA102.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[[2-(5-cyano-3-pyridinyl)-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]-3-methylpentanoate
CID 59688448
N-(3-cyanophenyl)-5-oxo-1,4-diazepane-1-carboxamide
CID 60969059
N-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174626
3-oxo-1-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 59688393
N-(3-cyanophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 56900491
N-(3-cyanophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 3233698
3-methylidene-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 143644356
4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide
CID 113112618
N-(3-cyanophenyl)-7-(2-methoxyacetyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3233668
N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896286
3-[[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109216243
N-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]acetamide
CID 24955070

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-oxo-1,2-dipyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-3-oxo-1,2-dipyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 59688472) is N-(3-cyanophenyl)-3-oxo-1,2-dipyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-oxo-1,2-dipyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-3-oxo-1,2-dipyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is N#Cc1cccc(NC(=O)N2CCC3(CC2)C(=O)N(c2ccccn2)C3c2ccccn2)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-oxo-1,2-dipyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is OAWZZSVUWFIWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c26-17-18-6-5-7-19(16-18)29-24(33)30-14-10-25(11-15-30)22(20-8-1-3-12-27-20)31(23(25)32)21-9-2-4-13-28-21/h1-9,12-13,16,22H,10-11,14-15H2,(H,29,33).
What are the key properties of N-(3-cyanophenyl)-3-oxo-1,2-dipyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
N-(3-cyanophenyl)-3-oxo-1,2-dipyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-oxo-1,2-dipyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 59688472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).