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

C38H49N5O4 — CID 155152885

IUPACN-[(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
SMILESCCN1CCC2(CC1)C(=O)N(C)c1cc(-c3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(N(CC)C4CCOCC4)c3)ccc12
InChIInChI=1S/C38H49N5O4/c1-7-42-15-13-38(14-16-42)32-10-9-27(21-34(32)41(6)37(38)46)28-20-30(35(44)39-23-31-24(3)19-25(4)40-36(31)45)26(5)33(22-28)43(8-2)29-11-17-47-18-12-29/h9-10,19-22,29H,7-8,11-18,23H2,1-6H3,(H,39,44)(H,40,45)
InChIKeyFGKMZLQTZZDXDA-UHFFFAOYSA-N
MW639.84 g/mol
LogP5.23
Rot. Bonds8

About 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

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 (PubChem CID 155152885) has the molecular formula C38H49N5O4 and a molecular weight of 639.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID155152885
Molecular FormulaC38H49N5O4
Molecular Weight639.84 g/mol
Exact Mass639.38
IUPAC NameN-[(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
SMILESCCN1CCC2(CC1)C(=O)N(C)c1cc(-c3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(N(CC)C4CCOCC4)c3)ccc12
InChIInChI=1S/C38H49N5O4/c1-7-42-15-13-38(14-16-42)32-10-9-27(21-34(32)41(6)37(38)46)28-20-30(35(44)39-23-31-24(3)19-25(4)40-36(31)45)26(5)33(22-28)43(8-2)29-11-17-47-18-12-29/h9-10,19-22,29H,7-8,11-18,23H2,1-6H3,(H,39,44)(H,40,45)
InChIKeyFGKMZLQTZZDXDA-UHFFFAOYSA-N
XLogP5.23
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.84
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-(1-methylpiperidin-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide
CID 155153110
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)-2-methylbenzamide
CID 155152883
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
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-[1-(3,3,3-trifluoropropyl)spiro[2H-indole-3,4'-oxane]-6-yl]benzamide
CID 155147083
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-(4-ethylphenyl)-2-methylbenzamide
CID 70904687
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide
CID 155147305
N-[[4,6-dimethyl-2-(oxomethylidene)-1H-pyridin-3-yl]methyl]-5-[1'-ethyl-1-methyl-2-(oxomethylidene)spiro[indole-3,4'-piperidine]-6-yl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
CID 176525168
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-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]-2-methylbenzamide
CID 70874912

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1CCC2(CC1)C(=O)N(C)c1cc(-c3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(N(CC)C4CCOCC4)c3)ccc12.
What is the InChIKey of 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?
The InChIKey is FGKMZLQTZZDXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H49N5O4/c1-7-42-15-13-38(14-16-42)32-10-9-27(21-34(32)41(6)37(38)46)28-20-30(35(44)39-23-31-24(3)19-25(4)40-36(31)45)26(5)33(22-28)43(8-2)29-11-17-47-18-12-29/h9-10,19-22,29H,7-8,11-18,23H2,1-6H3,(H,39,44)(H,40,45).
What are the key properties of 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?
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 has a molecular weight of 639.84 g/mol, XLogP of 5.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155152885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).