N-methyl-1-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methanamine

C16H26N4 — CID 79925045

IUPACN-methyl-1-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methanamine
SMILESCNCc1cccc(N2CC3CCCCN3CC2C)n1
InChIInChI=1S/C16H26N4/c1-13-11-19-9-4-3-7-15(19)12-20(13)16-8-5-6-14(18-16)10-17-2/h5-6,8,13,15,17H,3-4,7,9-12H2,1-2H3
InChIKeyKNRQCIQEIHODJR-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.86
Rot. Bonds3

About N-methyl-1-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methanamine

N-methyl-1-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methanamine (PubChem CID 79925045) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-1-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methanamine
PubChem CID79925045
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-methyl-1-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methanamine
SMILESCNCc1cccc(N2CC3CCCCN3CC2C)n1
InChIInChI=1S/C16H26N4/c1-13-11-19-9-4-3-7-15(19)12-20(13)16-8-5-6-14(18-16)10-17-2/h5-6,8,13,15,17H,3-4,7,9-12H2,1-2H3
InChIKeyKNRQCIQEIHODJR-UHFFFAOYSA-N
XLogP1.86
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methanamine with MolForge

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Related Compounds

2-[6-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935118
N-methyl-1-[6-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine
CID 106906872
N-tert-butyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-2-amine
CID 115498530
1-[6-(2-cyclopentylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 62294232
[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanamine
CID 79925494
[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanol
CID 79935691
N-[[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
CID 79924667
1-[4-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine
CID 79921173
2-(6-chloropyridazin-3-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925110
N-[[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methyl]propan-2-amine
CID 79934416
N-methyl-1-[6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine
CID 62285538
2-chloro-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)aniline
CID 104834718

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methanamine (CID 79925045) is N-methyl-1-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methanamine is CNCc1cccc(N2CC3CCCCN3CC2C)n1.
What is the InChIKey of N-methyl-1-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methanamine?
The InChIKey is KNRQCIQEIHODJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13-11-19-9-4-3-7-15(19)12-20(13)16-8-5-6-14(18-16)10-17-2/h5-6,8,13,15,17H,3-4,7,9-12H2,1-2H3.
What are the key properties of N-methyl-1-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methanamine?
N-methyl-1-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 79925045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).