1-(hydroxymethylamino)-1,8-naphthyridin-2-one

C9H9N3O2 — CID 139622666

IUPAC1-(hydroxymethylamino)-1,8-naphthyridin-2-one
SMILESO=c1ccc2cccnc2n1NCO
InChIInChI=1S/C9H9N3O2/c13-6-11-12-8(14)4-3-7-2-1-5-10-9(7)12/h1-5,11,13H,6H2
InChIKeyXALBSPBGEQDLDJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.11
Rot. Bonds2

About 1-(hydroxymethylamino)-1,8-naphthyridin-2-one

1-(hydroxymethylamino)-1,8-naphthyridin-2-one (PubChem CID 139622666) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-(hydroxymethylamino)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(hydroxymethylamino)-1,8-naphthyridin-2-one
PubChem CID139622666
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name1-(hydroxymethylamino)-1,8-naphthyridin-2-one
SMILESO=c1ccc2cccnc2n1NCO
InChIInChI=1S/C9H9N3O2/c13-6-11-12-8(14)4-3-7-2-1-5-10-9(7)12/h1-5,11,13H,6H2
InChIKeyXALBSPBGEQDLDJ-UHFFFAOYSA-N
XLogP-0.11
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylbutylamino)-1,8-naphthyridin-2-one
CID 139622712
1-(1-hydroxyethylamino)-1,8-naphthyridin-2-one
CID 139622714
3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione
CID 139622430
1-chloro-1,8-naphthyridin-2-one
CID 154368261
1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione
CID 139622393
N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide
CID 139622345
N-ethylpyrrolo[2,3-b]pyridin-1-amine
CID 10419482
1-pyridin-3-yloxy-1,8-naphthyridin-2-one
CID 130302527
1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione
CID 139622317
2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide
CID 139622774
1-[(5-phenylthiophen-2-yl)methyl]-1,8-naphthyridin-2-one
CID 90980646
1-(tert-butylamino)-3-methyl-1,8-naphthyridin-2-one
CID 139622360

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethylamino)-1,8-naphthyridin-2-one?
The IUPAC name of 1-(hydroxymethylamino)-1,8-naphthyridin-2-one (CID 139622666) is 1-(hydroxymethylamino)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(hydroxymethylamino)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(hydroxymethylamino)-1,8-naphthyridin-2-one is O=c1ccc2cccnc2n1NCO.
What is the InChIKey of 1-(hydroxymethylamino)-1,8-naphthyridin-2-one?
The InChIKey is XALBSPBGEQDLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c13-6-11-12-8(14)4-3-7-2-1-5-10-9(7)12/h1-5,11,13H,6H2.
What are the key properties of 1-(hydroxymethylamino)-1,8-naphthyridin-2-one?
1-(hydroxymethylamino)-1,8-naphthyridin-2-one has a molecular weight of 191.19 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethylamino)-1,8-naphthyridin-2-one is sourced from PubChem (CID 139622666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).