3-butyl-4-hydroxy-1-pyridin-3-yl-1,8-naphthyridin-2-one

C17H17N3O2 — CID 54712147

IUPAC3-butyl-4-hydroxy-1-pyridin-3-yl-1,8-naphthyridin-2-one
SMILESCCCCc1c(O)c2cccnc2n(-c2cccnc2)c1=O
InChIInChI=1S/C17H17N3O2/c1-2-3-7-14-15(21)13-8-5-10-19-16(13)20(17(14)22)12-6-4-9-18-11-12/h4-6,8-11,21H,2-3,7H2,1H3
InChIKeySXVDGGWSLAXUBY-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.83
Rot. Bonds4

About 3-butyl-4-hydroxy-1-pyridin-3-yl-1,8-naphthyridin-2-one

3-butyl-4-hydroxy-1-pyridin-3-yl-1,8-naphthyridin-2-one (PubChem CID 54712147) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-butyl-4-hydroxy-1-pyridin-3-yl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-butyl-4-hydroxy-1-pyridin-3-yl-1,8-naphthyridin-2-one
PubChem CID54712147
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-butyl-4-hydroxy-1-pyridin-3-yl-1,8-naphthyridin-2-one
SMILESCCCCc1c(O)c2cccnc2n(-c2cccnc2)c1=O
InChIInChI=1S/C17H17N3O2/c1-2-3-7-14-15(21)13-8-5-10-19-16(13)20(17(14)22)12-6-4-9-18-11-12/h4-6,8-11,21H,2-3,7H2,1H3
InChIKeySXVDGGWSLAXUBY-UHFFFAOYSA-N
XLogP2.83
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Ethyl-13-(hydroxymethyl)-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470716
4-hydroxy-3-mesityl-1-methyl[1,8]naphthyridin-2(1H)-one
CID 54694328
Sch 37224
CID 54680204
5-Ethyl-4-hydroxy-3,6-diphenyl-1-(2-pyridyl)-1,2-dihydropyridin-2-one
CID 54687611
4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54696285
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-4-hydroxy-2-oxo-1-phenyl-N-4-pyridinyl-, hydrate (5:3)
CID 54684618
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-4-hydroxy-2-oxo-1-phenyl-N-3-pyridinyl-
CID 54684694
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-N-(2-(dimethylamino)ethyl)-4-hydroxy-2-oxo-1-phenyl-
CID 54715427
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-4-hydroxy-N-(3-methylphenyl)-2-oxo-1-phenyl-
CID 54715428
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-4-hydroxy-2-oxo-1-phenyl-N-2-pyrazinyl-
CID 54715432
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-4-hydroxy-2-oxo-1-phenyl-N-(4-pyridinylmethyl)-
CID 54715433
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-4-hydroxy-2-oxo-1-phenyl-N-(3-pyridinylmethyl)-
CID 54715434

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-hydroxy-1-pyridin-3-yl-1,8-naphthyridin-2-one?
The IUPAC name of 3-butyl-4-hydroxy-1-pyridin-3-yl-1,8-naphthyridin-2-one (CID 54712147) is 3-butyl-4-hydroxy-1-pyridin-3-yl-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-butyl-4-hydroxy-1-pyridin-3-yl-1,8-naphthyridin-2-one?
The canonical SMILES for 3-butyl-4-hydroxy-1-pyridin-3-yl-1,8-naphthyridin-2-one is CCCCc1c(O)c2cccnc2n(-c2cccnc2)c1=O.
What is the InChIKey of 3-butyl-4-hydroxy-1-pyridin-3-yl-1,8-naphthyridin-2-one?
The InChIKey is SXVDGGWSLAXUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-3-7-14-15(21)13-8-5-10-19-16(13)20(17(14)22)12-6-4-9-18-11-12/h4-6,8-11,21H,2-3,7H2,1H3.
What are the key properties of 3-butyl-4-hydroxy-1-pyridin-3-yl-1,8-naphthyridin-2-one?
3-butyl-4-hydroxy-1-pyridin-3-yl-1,8-naphthyridin-2-one has a molecular weight of 295.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-hydroxy-1-pyridin-3-yl-1,8-naphthyridin-2-one is sourced from PubChem (CID 54712147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).