N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-6-oxo-5-azaspiro[3.4]octane-2-carboxamide

C26H32N4O2 — CID 170419512

IUPACN-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-6-oxo-5-azaspiro[3.4]octane-2-carboxamide
SMILESCN(Cc1ccc(NC2Cc3ccccc3C2(C)C)cn1)C(=O)C1CC2(CCC(=O)N2)C1
InChIInChI=1S/C26H32N4O2/c1-25(2)21-7-5-4-6-17(21)12-22(25)28-19-8-9-20(27-15-19)16-30(3)24(32)18-13-26(14-18)11-10-23(31)29-26/h4-9,15,18,22,28H,10-14,16H2,1-3H3,(H,29,31)
InChIKeyPKYPRXWHEXYKJN-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.41
Rot. Bonds5

About N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-6-oxo-5-azaspiro[3.4]octane-2-carboxamide

N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-6-oxo-5-azaspiro[3.4]octane-2-carboxamide (PubChem CID 170419512) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-6-oxo-5-azaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-6-oxo-5-azaspiro[3.4]octane-2-carboxamide
PubChem CID170419512
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-6-oxo-5-azaspiro[3.4]octane-2-carboxamide
SMILESCN(Cc1ccc(NC2Cc3ccccc3C2(C)C)cn1)C(=O)C1CC2(CCC(=O)N2)C1
InChIInChI=1S/C26H32N4O2/c1-25(2)21-7-5-4-6-17(21)12-22(25)28-19-8-9-20(27-15-19)16-30(3)24(32)18-13-26(14-18)11-10-23(31)29-26/h4-9,15,18,22,28H,10-14,16H2,1-3H3,(H,29,31)
InChIKeyPKYPRXWHEXYKJN-UHFFFAOYSA-N
XLogP3.41
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-6-oxo-5-azaspiro[3.4]octane-2-carboxamide with MolForge

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Related Compounds

N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-1-azaspiro[3.3]heptane-6-carboxamide
CID 170419210
N-[(1S)-1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-6-oxo-5-azaspiro[3.4]octane-2-carboxamide
CID 170330826
N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N,1-dimethylpiperidine-3-carboxamide
CID 170419106
(3S)-N-[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 170331405
N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-1-methylsulfonylazetidine-3-carboxamide
CID 170575925
N-[1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-1-(2-hydroxyethyl)-N-methyl-1-azaspiro[3.3]heptane-6-carboxamide
CID 170331007
3-acetamido-N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylpropanamide
CID 170418651
[(1S,3R)-3-[[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-methylcarbamoyl]cyclopentyl]carbamic acid
CID 170331394
[(1R,3S)-3-[[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-methylcarbamoyl]cyclopentyl]carbamic acid
CID 170331825
(2S,4R)-N-[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 170331541
N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methyl-3-(methylaminosulfanyl)propanamide
CID 170418802
(3S)-N-[[5-[(5-chloro-4-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 170575996

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-6-oxo-5-azaspiro[3.4]octane-2-carboxamide?
The IUPAC name of N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-6-oxo-5-azaspiro[3.4]octane-2-carboxamide (CID 170419512) is N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-6-oxo-5-azaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-6-oxo-5-azaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-6-oxo-5-azaspiro[3.4]octane-2-carboxamide is CN(Cc1ccc(NC2Cc3ccccc3C2(C)C)cn1)C(=O)C1CC2(CCC(=O)N2)C1.
What is the InChIKey of N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-6-oxo-5-azaspiro[3.4]octane-2-carboxamide?
The InChIKey is PKYPRXWHEXYKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-25(2)21-7-5-4-6-17(21)12-22(25)28-19-8-9-20(27-15-19)16-30(3)24(32)18-13-26(14-18)11-10-23(31)29-26/h4-9,15,18,22,28H,10-14,16H2,1-3H3,(H,29,31).
What are the key properties of N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-6-oxo-5-azaspiro[3.4]octane-2-carboxamide?
N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-6-oxo-5-azaspiro[3.4]octane-2-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-6-oxo-5-azaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 170419512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).