N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-1-azaspiro[3.3]heptane-6-carboxamide

C25H32N4O — CID 170419210

IUPACN-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-1-azaspiro[3.3]heptane-6-carboxamide
SMILESCN(Cc1ccc(NC2Cc3ccccc3C2(C)C)cn1)C(=O)C1CC2(CCN2)C1
InChIInChI=1S/C25H32N4O/c1-24(2)21-7-5-4-6-17(21)12-22(24)28-19-8-9-20(26-15-19)16-29(3)23(30)18-13-25(14-18)10-11-27-25/h4-9,15,18,22,27-28H,10-14,16H2,1-3H3
InChIKeyWRBLWXPAKKQGRV-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.50
Rot. Bonds5

About N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-1-azaspiro[3.3]heptane-6-carboxamide

N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-1-azaspiro[3.3]heptane-6-carboxamide (PubChem CID 170419210) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-1-azaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

Compound NameN-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-1-azaspiro[3.3]heptane-6-carboxamide
PubChem CID170419210
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC NameN-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-1-azaspiro[3.3]heptane-6-carboxamide
SMILESCN(Cc1ccc(NC2Cc3ccccc3C2(C)C)cn1)C(=O)C1CC2(CCN2)C1
InChIInChI=1S/C25H32N4O/c1-24(2)21-7-5-4-6-17(21)12-22(24)28-19-8-9-20(26-15-19)16-29(3)23(30)18-13-25(14-18)10-11-27-25/h4-9,15,18,22,27-28H,10-14,16H2,1-3H3
InChIKeyWRBLWXPAKKQGRV-UHFFFAOYSA-N
XLogP3.50
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.50
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-1-azaspiro[3.3]heptane-6-carboxamide 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-[[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
N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N,1-dimethylpiperidine-3-carboxamide
CID 170419106
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-[[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
(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-3-(methylaminosulfanyl)propanamide
CID 170418802
[(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
3-acetamido-N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylpropanamide
CID 170418651
(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-[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]-6-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine
CID 170331342

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-1-azaspiro[3.3]heptane-6-carboxamide?
The IUPAC name of 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) is N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-1-azaspiro[3.3]heptane-6-carboxamide.
What is the SMILES notation for N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-1-azaspiro[3.3]heptane-6-carboxamide?
The canonical SMILES for N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-1-azaspiro[3.3]heptane-6-carboxamide is CN(Cc1ccc(NC2Cc3ccccc3C2(C)C)cn1)C(=O)C1CC2(CCN2)C1.
What is the InChIKey of N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-1-azaspiro[3.3]heptane-6-carboxamide?
The InChIKey is WRBLWXPAKKQGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-24(2)21-7-5-4-6-17(21)12-22(24)28-19-8-9-20(26-15-19)16-29(3)23(30)18-13-25(14-18)10-11-27-25/h4-9,15,18,22,27-28H,10-14,16H2,1-3H3.
What are the key properties of N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-1-azaspiro[3.3]heptane-6-carboxamide?
N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-1-azaspiro[3.3]heptane-6-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 3.50, 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-1-azaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 170419210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).