8,8-dimethyl-9-oxo-4-(6-phenylmethoxypyridine-3-carbonyl)-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile

C25H25N3O4 — CID 169024209

IUPAC8,8-dimethyl-9-oxo-4-(6-phenylmethoxypyridine-3-carbonyl)-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile
SMILESCC1(C)CC2(C=C(C#N)C1=O)CN(C(=O)c1ccc(OCc3ccccc3)nc1)CCO2
InChIInChI=1S/C25H25N3O4/c1-24(2)16-25(12-20(13-26)22(24)29)17-28(10-11-32-25)23(30)19-8-9-21(27-14-19)31-15-18-6-4-3-5-7-18/h3-9,12,14H,10-11,15-17H2,1-2H3
InChIKeyARGFQGPNASZPMW-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.32
Rot. Bonds4

About 8,8-dimethyl-9-oxo-4-(6-phenylmethoxypyridine-3-carbonyl)-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile

8,8-dimethyl-9-oxo-4-(6-phenylmethoxypyridine-3-carbonyl)-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile (PubChem CID 169024209) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 8,8-dimethyl-9-oxo-4-(6-phenylmethoxypyridine-3-carbonyl)-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile.

Molecular Properties

Compound Name8,8-dimethyl-9-oxo-4-(6-phenylmethoxypyridine-3-carbonyl)-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile
PubChem CID169024209
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name8,8-dimethyl-9-oxo-4-(6-phenylmethoxypyridine-3-carbonyl)-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile
SMILESCC1(C)CC2(C=C(C#N)C1=O)CN(C(=O)c1ccc(OCc3ccccc3)nc1)CCO2
InChIInChI=1S/C25H25N3O4/c1-24(2)16-25(12-20(13-26)22(24)29)17-28(10-11-32-25)23(30)19-8-9-21(27-14-19)31-15-18-6-4-3-5-7-18/h3-9,12,14H,10-11,15-17H2,1-2H3
InChIKeyARGFQGPNASZPMW-UHFFFAOYSA-N
XLogP3.32
TPSA92.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-benzoxazole-6-carbonyl)-8,8-dimethyl-9-oxo-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile
CID 162441925
8,8-dimethyl-9-oxo-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile
CID 162442084
3-methyl-1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529089
4-(5-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)-8,8-dimethyl-9-oxo-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile
CID 162442237
4-[2-(5-chloro-2-pyridinyl)cyclopropanecarbonyl]-8,8-dimethyl-9-oxo-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile
CID 169023949
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone
CID 95277197
8,8-dimethyl-4-(1-methylpyrazol-4-yl)-9-oxo-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile
CID 162442325
2-benzoyl-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 162442130
1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120533820
2-[6-(difluoromethyl)pyridine-3-carbonyl]-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile
CID 162441868
2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid
CID 129469980
10-amino-8,8-dimethyl-4-[6-(2,2,2-trifluoroethoxy)pyridazine-3-carbonyl]-1-oxa-4-azaspiro[5.5]undec-10-en-9-one
CID 166945894

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-9-oxo-4-(6-phenylmethoxypyridine-3-carbonyl)-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile?
The IUPAC name of 8,8-dimethyl-9-oxo-4-(6-phenylmethoxypyridine-3-carbonyl)-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile (CID 169024209) is 8,8-dimethyl-9-oxo-4-(6-phenylmethoxypyridine-3-carbonyl)-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile.
What is the SMILES notation for 8,8-dimethyl-9-oxo-4-(6-phenylmethoxypyridine-3-carbonyl)-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile?
The canonical SMILES for 8,8-dimethyl-9-oxo-4-(6-phenylmethoxypyridine-3-carbonyl)-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile is CC1(C)CC2(C=C(C#N)C1=O)CN(C(=O)c1ccc(OCc3ccccc3)nc1)CCO2.
What is the InChIKey of 8,8-dimethyl-9-oxo-4-(6-phenylmethoxypyridine-3-carbonyl)-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile?
The InChIKey is ARGFQGPNASZPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-24(2)16-25(12-20(13-26)22(24)29)17-28(10-11-32-25)23(30)19-8-9-21(27-14-19)31-15-18-6-4-3-5-7-18/h3-9,12,14H,10-11,15-17H2,1-2H3.
What are the key properties of 8,8-dimethyl-9-oxo-4-(6-phenylmethoxypyridine-3-carbonyl)-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile?
8,8-dimethyl-9-oxo-4-(6-phenylmethoxypyridine-3-carbonyl)-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile has a molecular weight of 431.49 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-9-oxo-4-(6-phenylmethoxypyridine-3-carbonyl)-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile is sourced from PubChem (CID 169024209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).