N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(4-bromophenoxy)pyridine-3-carboxamide

C20H22BrN3O2 — CID 56829403

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(4-bromophenoxy)pyridine-3-carboxamide
SMILESO=C(NC1CCN2CCCCC12)c1cccnc1Oc1ccc(Br)cc1
InChIInChI=1S/C20H22BrN3O2/c21-14-6-8-15(9-7-14)26-20-16(4-3-11-22-20)19(25)23-17-10-13-24-12-2-1-5-18(17)24/h3-4,6-9,11,17-18H,1-2,5,10,12-13H2,(H,23,25)
InChIKeyBKRAGWZUQLQYSL-UHFFFAOYSA-N
MW416.32 g/mol
LogP3.99
Rot. Bonds4

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(4-bromophenoxy)pyridine-3-carboxamide

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(4-bromophenoxy)pyridine-3-carboxamide (PubChem CID 56829403) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(4-bromophenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(4-bromophenoxy)pyridine-3-carboxamide
PubChem CID56829403
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(4-bromophenoxy)pyridine-3-carboxamide
SMILESO=C(NC1CCN2CCCCC12)c1cccnc1Oc1ccc(Br)cc1
InChIInChI=1S/C20H22BrN3O2/c21-14-6-8-15(9-7-14)26-20-16(4-3-11-22-20)19(25)23-17-10-13-24-12-2-1-5-18(17)24/h3-4,6-9,11,17-18H,1-2,5,10,12-13H2,(H,23,25)
InChIKeyBKRAGWZUQLQYSL-UHFFFAOYSA-N
XLogP3.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(4-bromophenoxy)pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methoxypyridine-3-carboxamide
CID 100839406
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(methylamino)pyridine-3-carboxamide
CID 62176030
2-(4-bromophenoxy)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyridine-3-carboxamide
CID 56569700
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride
CID 119946727
[4-[2-(4-bromophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 39402025
2-methoxy-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]pyridine-3-carboxamide
CID 133267819
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)benzoic acid
CID 60941055
2-(4-bromophenoxy)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyridine-3-carboxamide
CID 52588094
(3-aminopyrrolidin-1-yl)-[2-(4-bromophenoxy)-3-pyridinyl]methanone
CID 119482701
[2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 55687326
3-bromo-2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
CID 113363104
2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide
CID 55802649

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(4-bromophenoxy)pyridine-3-carboxamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(4-bromophenoxy)pyridine-3-carboxamide (CID 56829403) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(4-bromophenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(4-bromophenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(4-bromophenoxy)pyridine-3-carboxamide is O=C(NC1CCN2CCCCC12)c1cccnc1Oc1ccc(Br)cc1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(4-bromophenoxy)pyridine-3-carboxamide?
The InChIKey is BKRAGWZUQLQYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O2/c21-14-6-8-15(9-7-14)26-20-16(4-3-11-22-20)19(25)23-17-10-13-24-12-2-1-5-18(17)24/h3-4,6-9,11,17-18H,1-2,5,10,12-13H2,(H,23,25).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(4-bromophenoxy)pyridine-3-carboxamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(4-bromophenoxy)pyridine-3-carboxamide has a molecular weight of 416.32 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(4-bromophenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 56829403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).