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

C16H26N4 — CID 79930626

IUPAC[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine
SMILESCC1CN2CCCCC2CN1Cc1ccnc(CN)c1
InChIInChI=1S/C16H26N4/c1-13-10-19-7-3-2-4-16(19)12-20(13)11-14-5-6-18-15(8-14)9-17/h5-6,8,13,16H,2-4,7,9-12,17H2,1H3
InChIKeyKXDWNLIYDBESII-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.60
Rot. Bonds3

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

[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine (PubChem CID 79930626) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is [4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine
PubChem CID79930626
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine
SMILESCC1CN2CCCCC2CN1Cc1ccnc(CN)c1
InChIInChI=1S/C16H26N4/c1-13-10-19-7-3-2-4-16(19)12-20(13)11-14-5-6-18-15(8-14)9-17/h5-6,8,13,16H,2-4,7,9-12,17H2,1H3
InChIKeyKXDWNLIYDBESII-UHFFFAOYSA-N
XLogP1.60
TPSA45.39 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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]phenyl]methanamine
CID 79924895
[4-[(2-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888634
[2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]phenyl]methanamine
CID 79924464
2,6-dibromo-4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]phenol
CID 107740382
2-[(3-bromo-4-fluorophenyl)methyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 78992575
[5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 79945970
2-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926602
3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]benzoic acid
CID 79920463
N-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridin-2-amine
CID 79935171
[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63887071
[4-[(2,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888056
(3S)-2-[(4-chlorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211166

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine (CID 79930626) is [4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine is CC1CN2CCCCC2CN1Cc1ccnc(CN)c1.
What is the InChIKey of [4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine?
The InChIKey is KXDWNLIYDBESII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13-10-19-7-3-2-4-16(19)12-20(13)11-14-5-6-18-15(8-14)9-17/h5-6,8,13,16H,2-4,7,9-12,17H2,1H3.
What are the key properties of [4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine?
[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 79930626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).