N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C15H21N3O2 — CID 95976773

IUPACN-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2CCN3CCCC[C@H]23)c(=O)[nH]1
InChIInChI=1S/C15H21N3O2/c1-10-5-6-11(14(19)16-10)15(20)17-12-7-9-18-8-3-2-4-13(12)18/h5-6,12-13H,2-4,7-9H2,1H3,(H,16,19)(H,17,20)/t12-,13+/m0/s1
InChIKeyKSUQHXVVULWXNJ-QWHCGFSZSA-N
MW275.35 g/mol
LogP1.04
Rot. Bonds2

About N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 95976773) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID95976773
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2CCN3CCCC[C@H]23)c(=O)[nH]1
InChIInChI=1S/C15H21N3O2/c1-10-5-6-11(14(19)16-10)15(20)17-12-7-9-18-8-3-2-4-13(12)18/h5-6,12-13H,2-4,7-9H2,1H3,(H,16,19)(H,17,20)/t12-,13+/m0/s1
InChIKeyKSUQHXVVULWXNJ-QWHCGFSZSA-N
XLogP1.04
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 100845910
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103716717
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103718095
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 107362894
N-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119612413
2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide
CID 79795341
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride
CID 119946727
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide
CID 106501584
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)benzoic acid
CID 60941055
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-hydrazinylbenzamide
CID 62247113
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide
CID 66681471

Frequently Asked Questions

What is the IUPAC name of N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 95976773) is N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)N[C@H]2CCN3CCCC[C@H]23)c(=O)[nH]1.
What is the InChIKey of N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KSUQHXVVULWXNJ-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-5-6-11(14(19)16-10)15(20)17-12-7-9-18-8-3-2-4-13(12)18/h5-6,12-13H,2-4,7-9H2,1H3,(H,16,19)(H,17,20)/t12-,13+/m0/s1.
What are the key properties of N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95976773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).