4-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine

C13H20N2 — CID 140929166

IUPAC4-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine
SMILESCN1CCc2c(C(C)(C)C)ccnc2C1
InChIInChI=1S/C13H20N2/c1-13(2,3)11-5-7-14-12-9-15(4)8-6-10(11)12/h5,7H,6,8-9H2,1-4H3
InChIKeyDPTXKLQSQDLDIR-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.37
Rot. Bonds

About 4-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine

4-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine (PubChem CID 140929166) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine.

Molecular Properties

Compound Name4-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine
PubChem CID140929166
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine
SMILESCN1CCc2c(C(C)(C)C)ccnc2C1
InChIInChI=1S/C13H20N2/c1-13(2,3)11-5-7-14-12-9-15(4)8-6-10(11)12/h5,7H,6,8-9H2,1-4H3
InChIKeyDPTXKLQSQDLDIR-UHFFFAOYSA-N
XLogP2.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 145047633
N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 83833878
5,13-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene
CID 170017695
N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 83838471
tetrakis(4-tert-butyl-7H-cyclopenta[b]pyridine);methane
CID 157309196
1,4-ditert-butyl-2,3-dihydroindole
CID 59448208
N,7-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 142546570
1,4-ditert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine;bis(1,4-ditert-butyl-3H-pyrrolo[2,3-b]pyridin-2-one);4,7-ditert-butyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158200591
4-tert-butyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole
CID 164933869
11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene
CID 121385602
(2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 4731355
6-methyl-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-amine
CID 83862528

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine?
The IUPAC name of 4-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine (CID 140929166) is 4-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine.
What is the SMILES notation for 4-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine?
The canonical SMILES for 4-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine is CN1CCc2c(C(C)(C)C)ccnc2C1.
What is the InChIKey of 4-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine?
The InChIKey is DPTXKLQSQDLDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-13(2,3)11-5-7-14-12-9-15(4)8-6-10(11)12/h5,7H,6,8-9H2,1-4H3.
What are the key properties of 4-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine?
4-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine has a molecular weight of 204.32 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine is sourced from PubChem (CID 140929166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).