2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methylpyridine-4-carboximidamide

C15H23N5 — CID 114769109

IUPAC2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N2CCN3CCCCC3C2)c1
InChIInChI=1S/C15H23N5/c1-11-8-12(15(16)17)9-14(18-11)20-7-6-19-5-3-2-4-13(19)10-20/h8-9,13H,2-7,10H2,1H3,(H3,16,17)
InChIKeyYYCVAEPULPFMJA-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.35
Rot. Bonds2

About 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methylpyridine-4-carboximidamide

2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methylpyridine-4-carboximidamide (PubChem CID 114769109) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methylpyridine-4-carboximidamide
PubChem CID114769109
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N2CCN3CCCCC3C2)c1
InChIInChI=1S/C15H23N5/c1-11-8-12(15(16)17)9-14(18-11)20-7-6-19-5-3-2-4-13(19)10-20/h8-9,13H,2-7,10H2,1H3,(H3,16,17)
InChIKeyYYCVAEPULPFMJA-UHFFFAOYSA-N
XLogP1.35
TPSA69.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-6-methylpyridine-4-carboximidamide
CID 114769124
2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboximidamide
CID 114768904
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)benzenecarboximidamide
CID 79938375
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 79938613
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80836941
2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboximidamide
CID 102744106
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromobenzenecarboximidamide
CID 114893094
2-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-methylpyrimidin-2-yl]phenol
CID 137030213
4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine
CID 124784815
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 63752216
2-(6-chloro-2-methylpyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78918766
2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carbothioamide
CID 114767266

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methylpyridine-4-carboximidamide (CID 114769109) is 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methylpyridine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N2CCN3CCCCC3C2)c1.
What is the InChIKey of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methylpyridine-4-carboximidamide?
The InChIKey is YYCVAEPULPFMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-11-8-12(15(16)17)9-14(18-11)20-7-6-19-5-3-2-4-13(19)10-20/h8-9,13H,2-7,10H2,1H3,(H3,16,17).
What are the key properties of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methylpyridine-4-carboximidamide?
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methylpyridine-4-carboximidamide has a molecular weight of 273.38 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 114769109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).