N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide

C15H21N3O — CID 61230749

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide
SMILESCCN(C(=O)c1ccncc1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H21N3O/c1-2-18(15(19)11-5-7-16-8-6-11)14-9-12-3-4-13(10-14)17-12/h5-8,12-14,17H,2-4,9-10H2,1H3
InChIKeyXBHSLNQTDZQIEH-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.83
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide (PubChem CID 61230749) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide
PubChem CID61230749
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide
SMILESCCN(C(=O)c1ccncc1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H21N3O/c1-2-18(15(19)11-5-7-16-8-6-11)14-9-12-3-4-13(10-14)17-12/h5-8,12-14,17H,2-4,9-10H2,1H3
InChIKeyXBHSLNQTDZQIEH-UHFFFAOYSA-N
XLogP1.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-2-carboxamide
CID 61230562
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-dimethylbenzamide
CID 61231900
N-(4-aminocyclohexyl)-N-ethylpyridine-4-carboxamide
CID 79115334
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide
CID 61231707
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,3-thiazole-4-carboxamide
CID 55145232
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-5-methylfuran-2-carboxamide
CID 61231129
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide
CID 61233054
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-N-ethylbenzamide
CID 61230371
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-oxo-1H-pyridine-3-carboxamide
CID 61231892
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-5-nitrothiophene-3-carboxamide
CID 61231125
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide
CID 107732052

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide (CID 61230749) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide is CCN(C(=O)c1ccncc1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide?
The InChIKey is XBHSLNQTDZQIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-18(15(19)11-5-7-16-8-6-11)14-9-12-3-4-13(10-14)17-12/h5-8,12-14,17H,2-4,9-10H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.83, 3 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)-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 61230749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).