1,7-ditert-butyl-3,4-dihydro-2H-1,7-naphthyridin-8-one

C16H26N2O — CID 20773087

IUPAC1,7-ditert-butyl-3,4-dihydro-2H-1,7-naphthyridin-8-one
SMILESCC(C)(C)N1CCCc2ccn(C(C)(C)C)c(=O)c21
InChIInChI=1S/C16H26N2O/c1-15(2,3)17-10-7-8-12-9-11-18(16(4,5)6)14(19)13(12)17/h9,11H,7-8,10H2,1-6H3
InChIKeyKPVMTKPUNYCUEP-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.15
Rot. Bonds

About 1,7-ditert-butyl-3,4-dihydro-2H-1,7-naphthyridin-8-one

1,7-ditert-butyl-3,4-dihydro-2H-1,7-naphthyridin-8-one (PubChem CID 20773087) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1,7-ditert-butyl-3,4-dihydro-2H-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name1,7-ditert-butyl-3,4-dihydro-2H-1,7-naphthyridin-8-one
PubChem CID20773087
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1,7-ditert-butyl-3,4-dihydro-2H-1,7-naphthyridin-8-one
SMILESCC(C)(C)N1CCCc2ccn(C(C)(C)C)c(=O)c21
InChIInChI=1S/C16H26N2O/c1-15(2,3)17-10-7-8-12-9-11-18(16(4,5)6)14(19)13(12)17/h9,11H,7-8,10H2,1-6H3
InChIKeyKPVMTKPUNYCUEP-UHFFFAOYSA-N
XLogP3.15
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,7-Ditert-butyl-2,3-dihydro-1,7-naphthyridine-4,8-dione
CID 20773084
1,6-Ditert-butyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-one
CID 20773195
1,7-ditert-butyl-3,6-dihydro-2H-pyrrolo[2,3-c]azepin-8-one
CID 20773231
3-Amino-4-methyl-1-pentylpyridin-2-one
CID 21706495
3-Amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one
CID 22266485
7-Ethyl-6-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one
CID 53910867
(12Z)-2-methyl-11-methylidene-7,8,9,10-tetrahydro-6H-pyrazino[1,2-a]azonin-1-one
CID 117810110
2-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)-3-methyl-N-pentylbut-2-enamide
CID 129084014
2-Tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione
CID 139494682
2-(8-Oxo-1,2,3,4-tetrahydro-1,7-naphthyridin-7-yl)acetamide
CID 142232611
2,9-Dimethylpyrido[1,2-a]pyrazine-1,6-dione
CID 142358022
1-methyl-5-[(E)-2-[1-methyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]ethenyl]pyridin-2-one
CID 145092411

Frequently Asked Questions

What is the IUPAC name of 1,7-ditert-butyl-3,4-dihydro-2H-1,7-naphthyridin-8-one?
The IUPAC name of 1,7-ditert-butyl-3,4-dihydro-2H-1,7-naphthyridin-8-one (CID 20773087) is 1,7-ditert-butyl-3,4-dihydro-2H-1,7-naphthyridin-8-one.
What is the SMILES notation for 1,7-ditert-butyl-3,4-dihydro-2H-1,7-naphthyridin-8-one?
The canonical SMILES for 1,7-ditert-butyl-3,4-dihydro-2H-1,7-naphthyridin-8-one is CC(C)(C)N1CCCc2ccn(C(C)(C)C)c(=O)c21.
What is the InChIKey of 1,7-ditert-butyl-3,4-dihydro-2H-1,7-naphthyridin-8-one?
The InChIKey is KPVMTKPUNYCUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-15(2,3)17-10-7-8-12-9-11-18(16(4,5)6)14(19)13(12)17/h9,11H,7-8,10H2,1-6H3.
What are the key properties of 1,7-ditert-butyl-3,4-dihydro-2H-1,7-naphthyridin-8-one?
1,7-ditert-butyl-3,4-dihydro-2H-1,7-naphthyridin-8-one has a molecular weight of 262.40 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-ditert-butyl-3,4-dihydro-2H-1,7-naphthyridin-8-one is sourced from PubChem (CID 20773087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).