N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylphenyl)-1H-pyrrole-2-carboxamide

C19H23N3O — CID 18181958

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylphenyl)-1H-pyrrole-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NC3CN4CCC3CC4)[nH]2)cc1
InChIInChI=1S/C19H23N3O/c1-13-2-4-14(5-3-13)16-6-7-17(20-16)19(23)21-18-12-22-10-8-15(18)9-11-22/h2-7,15,18,20H,8-12H2,1H3,(H,21,23)
InChIKeyNJQHBQRZKBNHCC-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.81
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylphenyl)-1H-pyrrole-2-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 18181958) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID18181958
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylphenyl)-1H-pyrrole-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NC3CN4CCC3CC4)[nH]2)cc1
InChIInChI=1S/C19H23N3O/c1-13-2-4-14(5-3-13)16-6-7-17(20-16)19(23)21-18-12-22-10-8-15(18)9-11-22/h2-7,15,18,20H,8-12H2,1H3,(H,21,23)
InChIKeyNJQHBQRZKBNHCC-UHFFFAOYSA-N
XLogP2.81
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 18181918
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(6-fluoro-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 18180464
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(6-fluoro-2-pyridinyl)-1H-pyrrole-2-carboxamide
CID 18337414
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide
CID 91948829
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 18181920
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-5-phenylbenzamide
CID 11415960
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 77498341
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzamide
CID 16787826
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide
CID 91404239
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylbenzamide
CID 16793700
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-bromo-4-methylbenzamide
CID 81472016
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)benzamide
CID 119071573

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylphenyl)-1H-pyrrole-2-carboxamide (CID 18181958) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylphenyl)-1H-pyrrole-2-carboxamide is Cc1ccc(-c2ccc(C(=O)NC3CN4CCC3CC4)[nH]2)cc1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is NJQHBQRZKBNHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-13-2-4-14(5-3-13)16-6-7-17(20-16)19(23)21-18-12-22-10-8-15(18)9-11-22/h2-7,15,18,20H,8-12H2,1H3,(H,21,23).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylphenyl)-1H-pyrrole-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18181958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).