8-[5-[1-(2-amino-5-phenylanilino)ethenyl]-2-pyridinyl]-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

C35H36N6O2 — CID 143469916

IUPAC8-[5-[1-(2-amino-5-phenylanilino)ethenyl]-2-pyridinyl]-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESC=C(Nc1cc(-c2ccccc2)ccc1N)c1ccc(N2CCC3(CC2)CC(C(=O)NCCc2ccccc2)=NO3)nc1
InChIInChI=1S/C35H36N6O2/c1-25(39-31-22-28(12-14-30(31)36)27-10-6-3-7-11-27)29-13-15-33(38-24-29)41-20-17-35(18-21-41)23-32(40-43-35)34(42)37-19-16-26-8-4-2-5-9-26/h2-15,22,24,39H,1,16-21,23,36H2,(H,37,42)
InChIKeyRFCAYBZXWRNANN-UHFFFAOYSA-N
MW572.71 g/mol
LogP5.89
Rot. Bonds9

About 8-[5-[1-(2-amino-5-phenylanilino)ethenyl]-2-pyridinyl]-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

8-[5-[1-(2-amino-5-phenylanilino)ethenyl]-2-pyridinyl]-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 143469916) has the molecular formula C35H36N6O2 and a molecular weight of 572.71 g/mol. Its IUPAC name is 8-[5-[1-(2-amino-5-phenylanilino)ethenyl]-2-pyridinyl]-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound Name8-[5-[1-(2-amino-5-phenylanilino)ethenyl]-2-pyridinyl]-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID143469916
Molecular FormulaC35H36N6O2
Molecular Weight572.71 g/mol
Exact Mass572.29
IUPAC Name8-[5-[1-(2-amino-5-phenylanilino)ethenyl]-2-pyridinyl]-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESC=C(Nc1cc(-c2ccccc2)ccc1N)c1ccc(N2CCC3(CC2)CC(C(=O)NCCc2ccccc2)=NO3)nc1
InChIInChI=1S/C35H36N6O2/c1-25(39-31-22-28(12-14-30(31)36)27-10-6-3-7-11-27)29-13-15-33(38-24-29)41-20-17-35(18-21-41)23-32(40-43-35)34(42)37-19-16-26-8-4-2-5-9-26/h2-15,22,24,39H,1,16-21,23,36H2,(H,37,42)
InChIKeyRFCAYBZXWRNANN-UHFFFAOYSA-N
XLogP5.89
TPSA104.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 55.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158294
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CID 66757742
9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid
CID 68901246
9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 24744160
N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 90643783
N-(2-amino-5-phenylphenyl)-6-(2-butanoyl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxamide
CID 58234893
3-amino-N-[(4-methylphenyl)methyl]-4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)benzamide
CID 24819562
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838
N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide
CID 59627328
2-(2-amino-5-phenylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 158909763
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CID 134535362
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CID 134535543

Frequently Asked Questions

What is the IUPAC name of 8-[5-[1-(2-amino-5-phenylanilino)ethenyl]-2-pyridinyl]-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of 8-[5-[1-(2-amino-5-phenylanilino)ethenyl]-2-pyridinyl]-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 143469916) is 8-[5-[1-(2-amino-5-phenylanilino)ethenyl]-2-pyridinyl]-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for 8-[5-[1-(2-amino-5-phenylanilino)ethenyl]-2-pyridinyl]-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for 8-[5-[1-(2-amino-5-phenylanilino)ethenyl]-2-pyridinyl]-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is C=C(Nc1cc(-c2ccccc2)ccc1N)c1ccc(N2CCC3(CC2)CC(C(=O)NCCc2ccccc2)=NO3)nc1.
What is the InChIKey of 8-[5-[1-(2-amino-5-phenylanilino)ethenyl]-2-pyridinyl]-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is RFCAYBZXWRNANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N6O2/c1-25(39-31-22-28(12-14-30(31)36)27-10-6-3-7-11-27)29-13-15-33(38-24-29)41-20-17-35(18-21-41)23-32(40-43-35)34(42)37-19-16-26-8-4-2-5-9-26/h2-15,22,24,39H,1,16-21,23,36H2,(H,37,42).
What are the key properties of 8-[5-[1-(2-amino-5-phenylanilino)ethenyl]-2-pyridinyl]-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
8-[5-[1-(2-amino-5-phenylanilino)ethenyl]-2-pyridinyl]-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 572.71 g/mol, XLogP of 5.89, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[1-(2-amino-5-phenylanilino)ethenyl]-2-pyridinyl]-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 143469916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).