2,2-dimethyl-N-[2-oxo-2-[(11-oxo-10,12-dihydro-5H-pyrido[2,3-d][3]benzazocin-8-yl)amino]ethyl]-N-(1,2,3,4-tetrahydropyridin-5-yl)propanamide

C26H31N5O3 — CID 166955788

IUPAC2,2-dimethyl-N-[2-oxo-2-[(11-oxo-10,12-dihydro-5H-pyrido[2,3-d][3]benzazocin-8-yl)amino]ethyl]-N-(1,2,3,4-tetrahydropyridin-5-yl)propanamide
SMILESCC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC(=O)Nc1ncccc1C2)C1=CNCCC1
InChIInChI=1S/C26H31N5O3/c1-26(2,3)25(34)31(21-7-5-10-27-15-21)16-23(33)29-20-9-8-17-12-18-6-4-11-28-24(18)30-22(32)14-19(17)13-20/h4,6,8-9,11,13,15,27H,5,7,10,12,14,16H2,1-3H3,(H,29,33)(H,28,30,32)
InChIKeyWVJFKOILJMUHIR-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.20
Rot. Bonds4

About 2,2-dimethyl-N-[2-oxo-2-[(11-oxo-10,12-dihydro-5H-pyrido[2,3-d][3]benzazocin-8-yl)amino]ethyl]-N-(1,2,3,4-tetrahydropyridin-5-yl)propanamide

2,2-dimethyl-N-[2-oxo-2-[(11-oxo-10,12-dihydro-5H-pyrido[2,3-d][3]benzazocin-8-yl)amino]ethyl]-N-(1,2,3,4-tetrahydropyridin-5-yl)propanamide (PubChem CID 166955788) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-[(11-oxo-10,12-dihydro-5H-pyrido[2,3-d][3]benzazocin-8-yl)amino]ethyl]-N-(1,2,3,4-tetrahydropyridin-5-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-[(11-oxo-10,12-dihydro-5H-pyrido[2,3-d][3]benzazocin-8-yl)amino]ethyl]-N-(1,2,3,4-tetrahydropyridin-5-yl)propanamide
PubChem CID166955788
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name2,2-dimethyl-N-[2-oxo-2-[(11-oxo-10,12-dihydro-5H-pyrido[2,3-d][3]benzazocin-8-yl)amino]ethyl]-N-(1,2,3,4-tetrahydropyridin-5-yl)propanamide
SMILESCC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC(=O)Nc1ncccc1C2)C1=CNCCC1
InChIInChI=1S/C26H31N5O3/c1-26(2,3)25(34)31(21-7-5-10-27-15-21)16-23(33)29-20-9-8-17-12-18-6-4-11-28-24(18)30-22(32)14-19(17)13-20/h4,6,8-9,11,13,15,27H,5,7,10,12,14,16H2,1-3H3,(H,29,33)(H,28,30,32)
InChIKeyWVJFKOILJMUHIR-UHFFFAOYSA-N
XLogP3.20
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-[2-oxo-2-[(11-oxo-10,12-dihydro-5H-pyrido[2,3-d][3]benzazocin-8-yl)amino]ethyl]-N-(1,2,3,4-tetrahydropyridin-5-yl)propanamide with MolForge

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Related Compounds

1-N,4-dimethyl-4-N-[2-oxo-2-[(11-oxo-10,12-dihydro-5H-pyrido[2,3-d][3]benzazocin-8-yl)amino]ethyl]-4-N-[(3S)-piperidin-3-yl]piperidine-1,4-dicarboxamide
CID 166955811
N-[(2-acetylphenyl)methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
CID 142473423
N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
CID 142473514
2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-(1,2,3,4-tetrahydroisoquinolin-4-yl)propanamide
CID 135382509
2,2-dimethyl-N-[(3S,5S)-5-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide
CID 156903437
2,2-dimethyl-N-[(3S)-6-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide
CID 146609993
N-[[2-[1-(dimethylamino)ethyl]phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
CID 142473507
tert-butyl 2-[2-[[2,2-dimethylpropanoyl-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]amino]methyl]phenyl]acetate
CID 159552116
2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-[(2-pyridin-3-ylphenyl)methyl]propanamide
CID 164629033
N-[[2-[[3-(dimethylamino)propylamino]methyl]phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
CID 142473607
2-[methyl(nonyl)amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 71064178
tert-butyl 3-[hexadecanoyl-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]amino]piperidine-1-carboxylate
CID 156781621

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[(11-oxo-10,12-dihydro-5H-pyrido[2,3-d][3]benzazocin-8-yl)amino]ethyl]-N-(1,2,3,4-tetrahydropyridin-5-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[(11-oxo-10,12-dihydro-5H-pyrido[2,3-d][3]benzazocin-8-yl)amino]ethyl]-N-(1,2,3,4-tetrahydropyridin-5-yl)propanamide (CID 166955788) is 2,2-dimethyl-N-[2-oxo-2-[(11-oxo-10,12-dihydro-5H-pyrido[2,3-d][3]benzazocin-8-yl)amino]ethyl]-N-(1,2,3,4-tetrahydropyridin-5-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-[(11-oxo-10,12-dihydro-5H-pyrido[2,3-d][3]benzazocin-8-yl)amino]ethyl]-N-(1,2,3,4-tetrahydropyridin-5-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-[(11-oxo-10,12-dihydro-5H-pyrido[2,3-d][3]benzazocin-8-yl)amino]ethyl]-N-(1,2,3,4-tetrahydropyridin-5-yl)propanamide is CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC(=O)Nc1ncccc1C2)C1=CNCCC1.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-[(11-oxo-10,12-dihydro-5H-pyrido[2,3-d][3]benzazocin-8-yl)amino]ethyl]-N-(1,2,3,4-tetrahydropyridin-5-yl)propanamide?
The InChIKey is WVJFKOILJMUHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-26(2,3)25(34)31(21-7-5-10-27-15-21)16-23(33)29-20-9-8-17-12-18-6-4-11-28-24(18)30-22(32)14-19(17)13-20/h4,6,8-9,11,13,15,27H,5,7,10,12,14,16H2,1-3H3,(H,29,33)(H,28,30,32).
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-[(11-oxo-10,12-dihydro-5H-pyrido[2,3-d][3]benzazocin-8-yl)amino]ethyl]-N-(1,2,3,4-tetrahydropyridin-5-yl)propanamide?
2,2-dimethyl-N-[2-oxo-2-[(11-oxo-10,12-dihydro-5H-pyrido[2,3-d][3]benzazocin-8-yl)amino]ethyl]-N-(1,2,3,4-tetrahydropyridin-5-yl)propanamide has a molecular weight of 461.57 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-oxo-2-[(11-oxo-10,12-dihydro-5H-pyrido[2,3-d][3]benzazocin-8-yl)amino]ethyl]-N-(1,2,3,4-tetrahydropyridin-5-yl)propanamide is sourced from PubChem (CID 166955788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).