6-(4-amino-5-methyl-2-pyridinyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one

C14H20N4O — CID 83265761

IUPAC6-(4-amino-5-methyl-2-pyridinyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESCc1cnc(N2CCC3NC(=O)CCC3C2)cc1N
InChIInChI=1S/C14H20N4O/c1-9-7-16-13(6-11(9)15)18-5-4-12-10(8-18)2-3-14(19)17-12/h6-7,10,12H,2-5,8H2,1H3,(H2,15,16)(H,17,19)
InChIKeyLCCLSIIYWPQEBV-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.08
Rot. Bonds1

About 6-(4-amino-5-methyl-2-pyridinyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one

6-(4-amino-5-methyl-2-pyridinyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (PubChem CID 83265761) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-(4-amino-5-methyl-2-pyridinyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-(4-amino-5-methyl-2-pyridinyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
PubChem CID83265761
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name6-(4-amino-5-methyl-2-pyridinyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESCc1cnc(N2CCC3NC(=O)CCC3C2)cc1N
InChIInChI=1S/C14H20N4O/c1-9-7-16-13(6-11(9)15)18-5-4-12-10(8-18)2-3-14(19)17-12/h6-7,10,12H,2-5,8H2,1H3,(H2,15,16)(H,17,19)
InChIKeyLCCLSIIYWPQEBV-UHFFFAOYSA-N
XLogP1.08
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-5-methyl-2-pyridinyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-(4-amino-5-methyl-2-pyridinyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (CID 83265761) is 6-(4-amino-5-methyl-2-pyridinyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-(4-amino-5-methyl-2-pyridinyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-(4-amino-5-methyl-2-pyridinyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is Cc1cnc(N2CCC3NC(=O)CCC3C2)cc1N.
What is the InChIKey of 6-(4-amino-5-methyl-2-pyridinyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The InChIKey is LCCLSIIYWPQEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-7-16-13(6-11(9)15)18-5-4-12-10(8-18)2-3-14(19)17-12/h6-7,10,12H,2-5,8H2,1H3,(H2,15,16)(H,17,19).
What are the key properties of 6-(4-amino-5-methyl-2-pyridinyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
6-(4-amino-5-methyl-2-pyridinyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-5-methyl-2-pyridinyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 83265761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).