N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methoxypyridine-3-carboxamide

C15H21N3O2 — CID 100839406

IUPACN-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N[C@@H]1CCN2CCCC[C@@H]12
InChIInChI=1S/C15H21N3O2/c1-20-15-11(5-4-8-16-15)14(19)17-12-7-10-18-9-3-2-6-13(12)18/h4-5,8,12-13H,2-3,6-7,9-10H2,1H3,(H,17,19)/t12-,13+/m1/s1
InChIKeyVBFWUNCWHZNUBX-OLZOCXBDSA-N
MW275.35 g/mol
LogP1.45
Rot. Bonds3

About N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methoxypyridine-3-carboxamide

N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 100839406) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methoxypyridine-3-carboxamide
PubChem CID100839406
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N[C@@H]1CCN2CCCC[C@@H]12
InChIInChI=1S/C15H21N3O2/c1-20-15-11(5-4-8-16-15)14(19)17-12-7-10-18-9-3-2-6-13(12)18/h4-5,8,12-13H,2-3,6-7,9-10H2,1H3,(H,17,19)/t12-,13+/m1/s1
InChIKeyVBFWUNCWHZNUBX-OLZOCXBDSA-N
XLogP1.45
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(4-bromophenoxy)pyridine-3-carboxamide
CID 56829403
2-methoxy-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]pyridine-3-carboxamide
CID 133267819
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(methylamino)pyridine-3-carboxamide
CID 62176030
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride
CID 119946727
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)benzoic acid
CID 60941055
methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617208
1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 94030850
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-hydrazinylbenzamide
CID 62247113
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-ethylsulfonylbenzamide
CID 94026352
N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 133126149
methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate
CID 78925496
ethyl 4-[(2-methoxypyridine-3-carbonyl)amino]azepane-1-carboxylate
CID 59150729

Frequently Asked Questions

What is the IUPAC name of N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methoxypyridine-3-carboxamide (CID 100839406) is N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)N[C@@H]1CCN2CCCC[C@@H]12.
What is the InChIKey of N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is VBFWUNCWHZNUBX-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-20-15-11(5-4-8-16-15)14(19)17-12-7-10-18-9-3-2-6-13(12)18/h4-5,8,12-13H,2-3,6-7,9-10H2,1H3,(H,17,19)/t12-,13+/m1/s1.
What are the key properties of N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methoxypyridine-3-carboxamide?
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 100839406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).