N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide

C18H26N4O3 — CID 125319980

IUPACN-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide
SMILESCOc1ncccc1NC(=O)C(=O)NC[C@H]1CCCN2CCCC[C@@H]12
InChIInChI=1S/C18H26N4O3/c1-25-18-14(7-4-9-19-18)21-17(24)16(23)20-12-13-6-5-11-22-10-3-2-8-15(13)22/h4,7,9,13,15H,2-3,5-6,8,10-12H2,1H3,(H,20,23)(H,21,24)/t13-,15+/m1/s1
InChIKeyQIYKAIKOCJOMFN-HIFRSBDPSA-N
MW346.43 g/mol
LogP1.41
Rot. Bonds4

About N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide

N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide (PubChem CID 125319980) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide.

Molecular Properties

Compound NameN-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide
PubChem CID125319980
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide
SMILESCOc1ncccc1NC(=O)C(=O)NC[C@H]1CCCN2CCCC[C@@H]12
InChIInChI=1S/C18H26N4O3/c1-25-18-14(7-4-9-19-18)21-17(24)16(23)20-12-13-6-5-11-22-10-3-2-8-15(13)22/h4,7,9,13,15H,2-3,5-6,8,10-12H2,1H3,(H,20,23)(H,21,24)/t13-,15+/m1/s1
InChIKeyQIYKAIKOCJOMFN-HIFRSBDPSA-N
XLogP1.41
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide
CID 98231928
1-N-(2-methoxy-3-pyridinyl)piperidine-1,4-dicarboxamide
CID 47222931
N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 47042573
1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea
CID 100763708
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methoxypyridine-3-carboxamide
CID 100839406
1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47042572
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-(2-methoxy-3-pyridinyl)benzamide
CID 50974890
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide
CID 113273848
1-(2-methoxy-3-pyridinyl)-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 47042538
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(pyrimidin-2-ylamino)benzamide
CID 71754468
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 45371494
1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea
CID 47042553

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide?
The IUPAC name of N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide (CID 125319980) is N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide.
What is the SMILES notation for N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide?
The canonical SMILES for N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide is COc1ncccc1NC(=O)C(=O)NC[C@H]1CCCN2CCCC[C@@H]12.
What is the InChIKey of N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide?
The InChIKey is QIYKAIKOCJOMFN-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-25-18-14(7-4-9-19-18)21-17(24)16(23)20-12-13-6-5-11-22-10-3-2-8-15(13)22/h4,7,9,13,15H,2-3,5-6,8,10-12H2,1H3,(H,20,23)(H,21,24)/t13-,15+/m1/s1.
What are the key properties of N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide?
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide has a molecular weight of 346.43 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide is sourced from PubChem (CID 125319980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).