N-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-N-propylpyrrole-2-carboxamide

C17H27N3O — CID 61232091

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-N-propylpyrrole-2-carboxamide
SMILESCCCN(C(=O)c1cccn1CC)C1CC2CCC(C1)N2
InChIInChI=1S/C17H27N3O/c1-3-9-20(15-11-13-7-8-14(12-15)18-13)17(21)16-6-5-10-19(16)4-2/h5-6,10,13-15,18H,3-4,7-9,11-12H2,1-2H3
InChIKeyOVGMUZSXRGTJJR-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.64
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-N-propylpyrrole-2-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-N-propylpyrrole-2-carboxamide (PubChem CID 61232091) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-N-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-N-propylpyrrole-2-carboxamide
PubChem CID61232091
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-N-propylpyrrole-2-carboxamide
SMILESCCCN(C(=O)c1cccn1CC)C1CC2CCC(C1)N2
InChIInChI=1S/C17H27N3O/c1-3-9-20(15-11-13-7-8-14(12-15)18-13)17(21)16-6-5-10-19(16)4-2/h5-6,10,13-15,18H,3-4,7-9,11-12H2,1-2H3
InChIKeyOVGMUZSXRGTJJR-UHFFFAOYSA-N
XLogP2.64
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-4-yl-N,1-dipropylpyrrole-2-carboxamide
CID 60807268
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide
CID 61233054
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide
CID 61231138
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-N-propylbenzamide
CID 61232094
N-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114610258
4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66251268
2-[2-[butyl(cyclopropyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79324945
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea
CID 61232866
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 61230946
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethyl-N-propylbutanamide
CID 62679594
1-ethyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60961930
N-[(2-ethylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62415870

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-N-propylpyrrole-2-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-N-propylpyrrole-2-carboxamide (CID 61232091) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-N-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-N-propylpyrrole-2-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-N-propylpyrrole-2-carboxamide is CCCN(C(=O)c1cccn1CC)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-N-propylpyrrole-2-carboxamide?
The InChIKey is OVGMUZSXRGTJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-9-20(15-11-13-7-8-14(12-15)18-13)17(21)16-6-5-10-19(16)4-2/h5-6,10,13-15,18H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-N-propylpyrrole-2-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-N-propylpyrrole-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 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-ethyl-N-propylpyrrole-2-carboxamide is sourced from PubChem (CID 61232091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).