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

C16H24N4O — CID 104641770

IUPAC[5-(methylamino)-2-pyridinyl]-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
SMILESCNc1ccc(C(=O)N2CC3CCCCN3CC2C)nc1
InChIInChI=1S/C16H24N4O/c1-12-10-19-8-4-3-5-14(19)11-20(12)16(21)15-7-6-13(17-2)9-18-15/h6-7,9,12,14,17H,3-5,8,10-11H2,1-2H3
InChIKeyZVJIBGRDMCCUKJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.82
Rot. Bonds2

About [5-(methylamino)-2-pyridinyl]-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone

[5-(methylamino)-2-pyridinyl]-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone (PubChem CID 104641770) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is [5-(methylamino)-2-pyridinyl]-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name[5-(methylamino)-2-pyridinyl]-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
PubChem CID104641770
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[5-(methylamino)-2-pyridinyl]-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
SMILESCNc1ccc(C(=O)N2CC3CCCCN3CC2C)nc1
InChIInChI=1S/C16H24N4O/c1-12-10-19-8-4-3-5-14(19)11-20(12)16(21)15-7-6-13(17-2)9-18-15/h6-7,9,12,14,17H,3-5,8,10-11H2,1-2H3
InChIKeyZVJIBGRDMCCUKJ-UHFFFAOYSA-N
XLogP1.82
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(methylamino)-2-pyridinyl]-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of [5-(methylamino)-2-pyridinyl]-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone (CID 104641770) is [5-(methylamino)-2-pyridinyl]-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for [5-(methylamino)-2-pyridinyl]-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for [5-(methylamino)-2-pyridinyl]-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone is CNc1ccc(C(=O)N2CC3CCCCN3CC2C)nc1.
What is the InChIKey of [5-(methylamino)-2-pyridinyl]-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is ZVJIBGRDMCCUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-10-19-8-4-3-5-14(19)11-20(12)16(21)15-7-6-13(17-2)9-18-15/h6-7,9,12,14,17H,3-5,8,10-11H2,1-2H3.
What are the key properties of [5-(methylamino)-2-pyridinyl]-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone?
[5-(methylamino)-2-pyridinyl]-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylamino)-2-pyridinyl]-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 104641770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).