N-(5-methoxy-3-pyridinyl)-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide

C20H21N3O2 — CID 154770480

IUPACN-(5-methoxy-3-pyridinyl)-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide
SMILESCOc1cncc(NC(=O)N2CC3(CC=CC3)C2c2ccccc2)c1
InChIInChI=1S/C20H21N3O2/c1-25-17-11-16(12-21-13-17)22-19(24)23-14-20(9-5-6-10-20)18(23)15-7-3-2-4-8-15/h2-8,11-13,18H,9-10,14H2,1H3,(H,22,24)
InChIKeyPSKPJPOAFACUSQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.02
Rot. Bonds3

About N-(5-methoxy-3-pyridinyl)-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide

N-(5-methoxy-3-pyridinyl)-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide (PubChem CID 154770480) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(5-methoxy-3-pyridinyl)-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-3-pyridinyl)-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide
PubChem CID154770480
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(5-methoxy-3-pyridinyl)-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide
SMILESCOc1cncc(NC(=O)N2CC3(CC=CC3)C2c2ccccc2)c1
InChIInChI=1S/C20H21N3O2/c1-25-17-11-16(12-21-13-17)22-19(24)23-14-20(9-5-6-10-20)18(23)15-7-3-2-4-8-15/h2-8,11-13,18H,9-10,14H2,1H3,(H,22,24)
InChIKeyPSKPJPOAFACUSQ-UHFFFAOYSA-N
XLogP4.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide
CID 154770271
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide
CID 154770333
(2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 816356
(3aR,6aS)-5-benzyl-N-(5-methoxy-3-pyridinyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide
CID 134811134
(3S)-N-(1,5-dimethyltriazol-4-yl)-3-phenyl-2-azaspiro[3.3]heptane-2-carboxamide
CID 129347242
N-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24955236
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-(5-methoxy-3-pyridinyl)acetamide
CID 175874136
3-phenyl-N-pyridazin-3-yl-2-azaspiro[3.3]heptane-2-carboxamide
CID 139010732
1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(5-methoxy-3-pyridinyl)urea
CID 138025894
(1R)-6,7-dimethoxy-1-phenyl-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 40792766
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94028579
(2R)-2-(3-phenoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 1025278

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-3-pyridinyl)-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide?
The IUPAC name of N-(5-methoxy-3-pyridinyl)-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide (CID 154770480) is N-(5-methoxy-3-pyridinyl)-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide.
What is the SMILES notation for N-(5-methoxy-3-pyridinyl)-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide?
The canonical SMILES for N-(5-methoxy-3-pyridinyl)-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide is COc1cncc(NC(=O)N2CC3(CC=CC3)C2c2ccccc2)c1.
What is the InChIKey of N-(5-methoxy-3-pyridinyl)-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide?
The InChIKey is PSKPJPOAFACUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-17-11-16(12-21-13-17)22-19(24)23-14-20(9-5-6-10-20)18(23)15-7-3-2-4-8-15/h2-8,11-13,18H,9-10,14H2,1H3,(H,22,24).
What are the key properties of N-(5-methoxy-3-pyridinyl)-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide?
N-(5-methoxy-3-pyridinyl)-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-3-pyridinyl)-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide is sourced from PubChem (CID 154770480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).