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

C15H21N3O2 — CID 103716717

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCN3CCCCC23)c[nH]1
InChIInChI=1S/C15H21N3O2/c1-10-8-14(19)11(9-16-10)15(20)17-12-5-7-18-6-3-2-4-13(12)18/h8-9,12-13H,2-7H2,1H3,(H,16,19)(H,17,20)
InChIKeyHHQQUMSYGOHDJO-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.04
Rot. Bonds2

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

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103716717) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103716717
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCN3CCCCC23)c[nH]1
InChIInChI=1S/C15H21N3O2/c1-10-8-14(19)11(9-16-10)15(20)17-12-5-7-18-6-3-2-4-13(12)18/h8-9,12-13H,2-7H2,1H3,(H,16,19)(H,17,20)
InChIKeyHHQQUMSYGOHDJO-UHFFFAOYSA-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

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Related Compounds

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103718095
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976773
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-[(3S,4R)-1-cycloheptyl-4-cyclopropylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 133120733
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide
CID 106501584
N-(1-cyclopentylethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113247219
N-(1-ethylpiperidin-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717406
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide
CID 79795341
6-methyl-N-[2-(3-methylbutoxy)cyclohexyl]-4-oxo-1H-pyridine-3-carboxamide
CID 84590891
6-methyl-4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide
CID 103696488
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride
CID 119946727

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 103716717) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NC2CCN3CCCCC23)c[nH]1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HHQQUMSYGOHDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-8-14(19)11(9-16-10)15(20)17-12-5-7-18-6-3-2-4-13(12)18/h8-9,12-13H,2-7H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methyl-4-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-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103716717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).