5-amino-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxamide

C15H23N5O — CID 114407032

IUPAC5-amino-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxamide
SMILESCC1CN2CCCCC2CN1c1nc(C(N)=O)ccc1N
InChIInChI=1S/C15H23N5O/c1-10-8-19-7-3-2-4-11(19)9-20(10)15-12(16)5-6-13(18-15)14(17)21/h5-6,10-11H,2-4,7-9,16H2,1H3,(H2,17,21)
InChIKeyHCMIIXQULFEYKB-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.83
Rot. Bonds2

About 5-amino-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxamide

5-amino-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxamide (PubChem CID 114407032) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-amino-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxamide
PubChem CID114407032
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name5-amino-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxamide
SMILESCC1CN2CCCCC2CN1c1nc(C(N)=O)ccc1N
InChIInChI=1S/C15H23N5O/c1-10-8-19-7-3-2-4-11(19)9-20(10)15-12(16)5-6-13(18-15)14(17)21/h5-6,10-11H,2-4,7-9,16H2,1H3,(H2,17,21)
InChIKeyHCMIIXQULFEYKB-UHFFFAOYSA-N
XLogP0.83
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-3-amine
CID 115320947
6-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
CID 79920483
6-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carbothioamide
CID 79921499
6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitropyridin-2-amine
CID 80836642
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridazine-4-carboxylic acid
CID 80517230
5-amino-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxamide
CID 114405623
5-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)benzamide
CID 79945394
(6-aminopyridazin-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 79945203
4,6-dimethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
CID 79929549
1-(3-amino-6-methyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 81131851
N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide
CID 136906849
(6-chloro-2-pyridinyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 78992303

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxamide (CID 114407032) is 5-amino-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxamide is CC1CN2CCCCC2CN1c1nc(C(N)=O)ccc1N.
What is the InChIKey of 5-amino-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxamide?
The InChIKey is HCMIIXQULFEYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10-8-19-7-3-2-4-11(19)9-20(10)15-12(16)5-6-13(18-15)14(17)21/h5-6,10-11H,2-4,7-9,16H2,1H3,(H2,17,21).
What are the key properties of 5-amino-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxamide?
5-amino-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 114407032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).