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

C14H25N3O2 — CID 82688906

IUPAC6-(5-amino-4-methylpentanoyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESCC(CN)CCC(=O)N1CCC2NC(=O)CCC2C1
InChIInChI=1S/C14H25N3O2/c1-10(8-15)2-5-14(19)17-7-6-12-11(9-17)3-4-13(18)16-12/h10-12H,2-9,15H2,1H3,(H,16,18)
InChIKeyRBEVIMCMWQRDFJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.49
Rot. Bonds4

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

6-(5-amino-4-methylpentanoyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (PubChem CID 82688906) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 6-(5-amino-4-methylpentanoyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-(5-amino-4-methylpentanoyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
PubChem CID82688906
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name6-(5-amino-4-methylpentanoyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESCC(CN)CCC(=O)N1CCC2NC(=O)CCC2C1
InChIInChI=1S/C14H25N3O2/c1-10(8-15)2-5-14(19)17-7-6-12-11(9-17)3-4-13(18)16-12/h10-12H,2-9,15H2,1H3,(H,16,18)
InChIKeyRBEVIMCMWQRDFJ-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-4-methylpentanoyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-(5-amino-4-methylpentanoyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (CID 82688906) is 6-(5-amino-4-methylpentanoyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-(5-amino-4-methylpentanoyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-(5-amino-4-methylpentanoyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is CC(CN)CCC(=O)N1CCC2NC(=O)CCC2C1.
What is the InChIKey of 6-(5-amino-4-methylpentanoyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The InChIKey is RBEVIMCMWQRDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(8-15)2-5-14(19)17-7-6-12-11(9-17)3-4-13(18)16-12/h10-12H,2-9,15H2,1H3,(H,16,18).
What are the key properties of 6-(5-amino-4-methylpentanoyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
6-(5-amino-4-methylpentanoyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one has a molecular weight of 267.37 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-4-methylpentanoyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 82688906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).