3-amino-1-(3-hydroxyoxan-4-yl)-4-methyl-1,6-naphthyridin-2-one

C14H17N3O3 — CID 155210565

IUPAC3-amino-1-(3-hydroxyoxan-4-yl)-4-methyl-1,6-naphthyridin-2-one
SMILESCc1c(N)c(=O)n(C2CCOCC2O)c2ccncc12
InChIInChI=1S/C14H17N3O3/c1-8-9-6-16-4-2-10(9)17(14(19)13(8)15)11-3-5-20-7-12(11)18/h2,4,6,11-12,18H,3,5,7,15H2,1H3
InChIKeyBCAXKRFKNKJPNX-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.61
Rot. Bonds1

About 3-amino-1-(3-hydroxyoxan-4-yl)-4-methyl-1,6-naphthyridin-2-one

3-amino-1-(3-hydroxyoxan-4-yl)-4-methyl-1,6-naphthyridin-2-one (PubChem CID 155210565) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-amino-1-(3-hydroxyoxan-4-yl)-4-methyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(3-hydroxyoxan-4-yl)-4-methyl-1,6-naphthyridin-2-one
PubChem CID155210565
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-amino-1-(3-hydroxyoxan-4-yl)-4-methyl-1,6-naphthyridin-2-one
SMILESCc1c(N)c(=O)n(C2CCOCC2O)c2ccncc12
InChIInChI=1S/C14H17N3O3/c1-8-9-6-16-4-2-10(9)17(14(19)13(8)15)11-3-5-20-7-12(11)18/h2,4,6,11-12,18H,3,5,7,15H2,1H3
InChIKeyBCAXKRFKNKJPNX-UHFFFAOYSA-N
XLogP0.61
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-hydroxyoxan-4-yl)-4-methyl-1,6-naphthyridin-2-one?
The IUPAC name of 3-amino-1-(3-hydroxyoxan-4-yl)-4-methyl-1,6-naphthyridin-2-one (CID 155210565) is 3-amino-1-(3-hydroxyoxan-4-yl)-4-methyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-amino-1-(3-hydroxyoxan-4-yl)-4-methyl-1,6-naphthyridin-2-one?
The canonical SMILES for 3-amino-1-(3-hydroxyoxan-4-yl)-4-methyl-1,6-naphthyridin-2-one is Cc1c(N)c(=O)n(C2CCOCC2O)c2ccncc12.
What is the InChIKey of 3-amino-1-(3-hydroxyoxan-4-yl)-4-methyl-1,6-naphthyridin-2-one?
The InChIKey is BCAXKRFKNKJPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8-9-6-16-4-2-10(9)17(14(19)13(8)15)11-3-5-20-7-12(11)18/h2,4,6,11-12,18H,3,5,7,15H2,1H3.
What are the key properties of 3-amino-1-(3-hydroxyoxan-4-yl)-4-methyl-1,6-naphthyridin-2-one?
3-amino-1-(3-hydroxyoxan-4-yl)-4-methyl-1,6-naphthyridin-2-one has a molecular weight of 275.31 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-hydroxyoxan-4-yl)-4-methyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 155210565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).