N-[4-methyl-3-(3-methyl-1-bicyclo[1.1.1]pentanyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide

C20H26N2O — CID 176941371

IUPACN-[4-methyl-3-(3-methyl-1-bicyclo[1.1.1]pentanyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESCc1ccc(NC(=O)N2C3CCCC2C3)cc1C12CC(C)(C1)C2
InChIInChI=1S/C20H26N2O/c1-13-6-7-14(8-17(13)20-10-19(2,11-20)12-20)21-18(23)22-15-4-3-5-16(22)9-15/h6-8,15-16H,3-5,9-12H2,1-2H3,(H,21,23)
InChIKeyQGUUMZJJLFIZMC-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.60
Rot. Bonds2

About N-[4-methyl-3-(3-methyl-1-bicyclo[1.1.1]pentanyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide

N-[4-methyl-3-(3-methyl-1-bicyclo[1.1.1]pentanyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide (PubChem CID 176941371) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[4-methyl-3-(3-methyl-1-bicyclo[1.1.1]pentanyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(3-methyl-1-bicyclo[1.1.1]pentanyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
PubChem CID176941371
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-[4-methyl-3-(3-methyl-1-bicyclo[1.1.1]pentanyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESCc1ccc(NC(=O)N2C3CCCC2C3)cc1C12CC(C)(C1)C2
InChIInChI=1S/C20H26N2O/c1-13-6-7-14(8-17(13)20-10-19(2,11-20)12-20)21-18(23)22-15-4-3-5-16(22)9-15/h6-8,15-16H,3-5,9-12H2,1-2H3,(H,21,23)
InChIKeyQGUUMZJJLFIZMC-UHFFFAOYSA-N
XLogP4.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[4-methyl-3-(3-methyl-1-bicyclo[1.1.1]pentanyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide with MolForge

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Related Compounds

N-(4-methyl-3-pyrimidin-2-ylphenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 169176631
N-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane
CID 176941389
N-(3,4-dimethylphenyl)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 90616117
N-(3-chloro-4-methylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 63763329
N-[3-(6-cyano-2-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 169176130
N-[3-[(Z)-1-amino-3-ethyliminoprop-1-enyl]-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176940279
N-[3-(3-fluoropyrazolo[1,5-a]pyrazin-6-yl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 171511845
(1R,5S)-N-[4-(aminomethyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176941166
(1S,5R)-N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide;methyl formate
CID 170617211
N,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 170617322
N,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide;molecular hydrogen
CID 170617381
N-(3,4-dimethyl-5-pyridin-2-ylphenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 169175904

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(3-methyl-1-bicyclo[1.1.1]pentanyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The IUPAC name of N-[4-methyl-3-(3-methyl-1-bicyclo[1.1.1]pentanyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide (CID 176941371) is N-[4-methyl-3-(3-methyl-1-bicyclo[1.1.1]pentanyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(3-methyl-1-bicyclo[1.1.1]pentanyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The canonical SMILES for N-[4-methyl-3-(3-methyl-1-bicyclo[1.1.1]pentanyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide is Cc1ccc(NC(=O)N2C3CCCC2C3)cc1C12CC(C)(C1)C2.
What is the InChIKey of N-[4-methyl-3-(3-methyl-1-bicyclo[1.1.1]pentanyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The InChIKey is QGUUMZJJLFIZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-13-6-7-14(8-17(13)20-10-19(2,11-20)12-20)21-18(23)22-15-4-3-5-16(22)9-15/h6-8,15-16H,3-5,9-12H2,1-2H3,(H,21,23).
What are the key properties of N-[4-methyl-3-(3-methyl-1-bicyclo[1.1.1]pentanyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide?
N-[4-methyl-3-(3-methyl-1-bicyclo[1.1.1]pentanyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(3-methyl-1-bicyclo[1.1.1]pentanyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 176941371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).