5-(1'-ethyl-2',6'-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-5-yl)-3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide

C40H54N4O4 — CID 155147245

IUPAC5-(1'-ethyl-2',6'-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-5-yl)-3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
SMILESCCN(c1cc(-c2ccc3c(c2)C2(CC3)CC(C)N(CC)C(C)C2)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1
InChIInChI=1S/C40H54N4O4/c1-8-43-26(4)22-40(23-27(43)5)15-12-29-10-11-30(20-35(29)40)31-19-33(28(6)36(21-31)44(9-2)32-13-16-48-17-14-32)38(45)41-24-34-37(47-7)18-25(3)42-39(34)46/h10-11,18-21,26-27,32H,8-9,12-17,22-24H2,1-7H3,(H,41,45)(H,42,46)
InChIKeyZQSBSMZJAZUHOV-UHFFFAOYSA-N
MW654.90 g/mol
LogP6.68
Rot. Bonds9

About 5-(1'-ethyl-2',6'-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-5-yl)-3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide

5-(1'-ethyl-2',6'-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-5-yl)-3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide (PubChem CID 155147245) has the molecular formula C40H54N4O4 and a molecular weight of 654.90 g/mol. Its IUPAC name is 5-(1'-ethyl-2',6'-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-5-yl)-3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(1'-ethyl-2',6'-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-5-yl)-3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
PubChem CID155147245
Molecular FormulaC40H54N4O4
Molecular Weight654.90 g/mol
Exact Mass654.41
IUPAC Name5-(1'-ethyl-2',6'-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-5-yl)-3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
SMILESCCN(c1cc(-c2ccc3c(c2)C2(CC3)CC(C)N(CC)C(C)C2)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1
InChIInChI=1S/C40H54N4O4/c1-8-43-26(4)22-40(23-27(43)5)15-12-29-10-11-30(20-35(29)40)31-19-33(28(6)36(21-31)44(9-2)32-13-16-48-17-14-32)38(45)41-24-34-37(47-7)18-25(3)42-39(34)46/h10-11,18-21,26-27,32H,8-9,12-17,22-24H2,1-7H3,(H,41,45)(H,42,46)
InChIKeyZQSBSMZJAZUHOV-UHFFFAOYSA-N
XLogP6.68
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.90
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(1'-ethyl-2',6'-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-5-yl)-3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide with MolForge

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Related Compounds

tert-butyl 6-[3-[ethyl(oxan-4-yl)amino]-5-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 155152934
3-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1-methylspiro[2H-indole-3,4'-oxane]-6-yl)benzamide
CID 155152982
3-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)benzamide
CID 155153000
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(4-methylphenyl)benzamide
CID 70872858
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(3-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl)benzamide
CID 155164742
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-(4-ethylphenyl)-2-methylbenzamide
CID 70904687
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;tert-butyl 6-[3-[ethyl(oxan-4-yl)amino]-5-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate;3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)benzamide;3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl]benzoic acid
CID 163863335
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(1'-ethyl-1-methyl-2-oxospiro[indole-3,4'-piperidine]-6-yl)-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
CID 155152885
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 135179319
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(1-methyl-2-oxo-1'-propan-2-ylspiro[indole-3,4'-piperidine]-6-yl)benzamide
CID 162705625
3-[ethyl(oxan-4-yl)amino]-5-[6-(methoxymethyl)-3-pyridinyl]-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]benzamide
CID 118413495
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide
CID 155153110

Frequently Asked Questions

What is the IUPAC name of 5-(1'-ethyl-2',6'-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-5-yl)-3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide?
The IUPAC name of 5-(1'-ethyl-2',6'-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-5-yl)-3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide (CID 155147245) is 5-(1'-ethyl-2',6'-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-5-yl)-3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for 5-(1'-ethyl-2',6'-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-5-yl)-3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide?
The canonical SMILES for 5-(1'-ethyl-2',6'-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-5-yl)-3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide is CCN(c1cc(-c2ccc3c(c2)C2(CC3)CC(C)N(CC)C(C)C2)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1.
What is the InChIKey of 5-(1'-ethyl-2',6'-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-5-yl)-3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide?
The InChIKey is ZQSBSMZJAZUHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H54N4O4/c1-8-43-26(4)22-40(23-27(43)5)15-12-29-10-11-30(20-35(29)40)31-19-33(28(6)36(21-31)44(9-2)32-13-16-48-17-14-32)38(45)41-24-34-37(47-7)18-25(3)42-39(34)46/h10-11,18-21,26-27,32H,8-9,12-17,22-24H2,1-7H3,(H,41,45)(H,42,46).
What are the key properties of 5-(1'-ethyl-2',6'-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-5-yl)-3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide?
5-(1'-ethyl-2',6'-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-5-yl)-3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide has a molecular weight of 654.90 g/mol, XLogP of 6.68, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1'-ethyl-2',6'-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-5-yl)-3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 155147245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).