1-(6-tert-butyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxyethanone

C14H20N2O2 — CID 134595658

IUPAC1-(6-tert-butyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxyethanone
SMILESCC(C)(C)c1cc2c(cn1)CN(C(=O)CO)CC2
InChIInChI=1S/C14H20N2O2/c1-14(2,3)12-6-10-4-5-16(13(18)9-17)8-11(10)7-15-12/h6-7,17H,4-5,8-9H2,1-3H3
InChIKeyYUHIZCMWROWTCX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.26
Rot. Bonds1

About 1-(6-tert-butyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxyethanone

1-(6-tert-butyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxyethanone (PubChem CID 134595658) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(6-tert-butyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(6-tert-butyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxyethanone
PubChem CID134595658
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(6-tert-butyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxyethanone
SMILESCC(C)(C)c1cc2c(cn1)CN(C(=O)CO)CC2
InChIInChI=1S/C14H20N2O2/c1-14(2,3)12-6-10-4-5-16(13(18)9-17)8-11(10)7-15-12/h6-7,17H,4-5,8-9H2,1-3H3
InChIKeyYUHIZCMWROWTCX-UHFFFAOYSA-N
XLogP1.26
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-ditert-butyl-3,4-dihydro-1H-2,7-naphthyridine
CID 171767542
2-hydroxy-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone
CID 155502159
1-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 68786097
1-(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylbutan-1-one
CID 156864912
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566
tert-butyl 6-chloro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 83844719
1-(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(dimethylamino)ethanone
CID 59766994
1-(6-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)ethanone
CID 164784627
6-amino-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylic acid
CID 70299304
2-(3-tert-butylphenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 112977567
1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-3,3-dimethylbutan-1-one
CID 110409632
1-[3-tert-butyl-1-[2-(2-hydroxyacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazol-5-yl]-3-naphthalen-1-ylurea
CID 58851706

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxyethanone?
The IUPAC name of 1-(6-tert-butyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxyethanone (CID 134595658) is 1-(6-tert-butyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(6-tert-butyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(6-tert-butyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxyethanone is CC(C)(C)c1cc2c(cn1)CN(C(=O)CO)CC2.
What is the InChIKey of 1-(6-tert-butyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxyethanone?
The InChIKey is YUHIZCMWROWTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,3)12-6-10-4-5-16(13(18)9-17)8-11(10)7-15-12/h6-7,17H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(6-tert-butyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxyethanone?
1-(6-tert-butyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxyethanone has a molecular weight of 248.33 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxyethanone is sourced from PubChem (CID 134595658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).