N-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride

C20H32ClN3O — CID 119456498

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CC3CCC(C2)N3)c(C)n1C1CCCCC1.Cl
InChIInChI=1S/C20H31N3O.ClH/c1-13-10-19(14(2)23(13)18-6-4-3-5-7-18)20(24)22-17-11-15-8-9-16(12-17)21-15;/h10,15-18,21H,3-9,11-12H2,1-2H3,(H,22,24);1H
InChIKeySXGJMBRFAWNKPX-UHFFFAOYSA-N
MW365.95 g/mol
LogP4.04
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride (PubChem CID 119456498) has the molecular formula C20H32ClN3O and a molecular weight of 365.95 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
PubChem CID119456498
Molecular FormulaC20H32ClN3O
Molecular Weight365.95 g/mol
Exact Mass365.22
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CC3CCC(C2)N3)c(C)n1C1CCCCC1.Cl
InChIInChI=1S/C20H31N3O.ClH/c1-13-10-19(14(2)23(13)18-6-4-3-5-7-18)20(24)22-17-11-15-8-9-16(12-17)21-15;/h10,15-18,21H,3-9,11-12H2,1-2H3,(H,22,24);1H
InChIKeySXGJMBRFAWNKPX-UHFFFAOYSA-N
XLogP4.04
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.95
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride with MolForge

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Related Compounds

1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride
CID 119425757
1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 56569542
1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide
CID 47909167
N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383110
1-cyclohexyl-2,5-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 71935809
1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide
CID 132968634
N-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119522503
1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
CID 119556387
2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid
CID 119170063
2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-(oxan-4-yl)pyrrole-3-carboxamide
CID 138058324
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119459094
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561064

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride (CID 119456498) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride is Cc1cc(C(=O)NC2CC3CCC(C2)N3)c(C)n1C1CCCCC1.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
The InChIKey is SXGJMBRFAWNKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O.ClH/c1-13-10-19(14(2)23(13)18-6-4-3-5-7-18)20(24)22-17-11-15-8-9-16(12-17)21-15;/h10,15-18,21H,3-9,11-12H2,1-2H3,(H,22,24);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride has a molecular weight of 365.95 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119456498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).