3-tert-butyl-6-(2-methyl-2-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine

C22H30N2 — CID 135169558

IUPAC3-tert-butyl-6-(2-methyl-2-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCC(C)(C)c1cnc2c(c1)CN(CC(C)(C)c1ccccc1)CC2
InChIInChI=1S/C22H30N2/c1-21(2,3)19-13-17-15-24(12-11-20(17)23-14-19)16-22(4,5)18-9-7-6-8-10-18/h6-10,13-14H,11-12,15-16H2,1-5H3
InChIKeyFXDKHPLBJDQULQ-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.72
Rot. Bonds3

About 3-tert-butyl-6-(2-methyl-2-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine

3-tert-butyl-6-(2-methyl-2-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 135169558) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 3-tert-butyl-6-(2-methyl-2-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name3-tert-butyl-6-(2-methyl-2-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID135169558
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name3-tert-butyl-6-(2-methyl-2-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCC(C)(C)c1cnc2c(c1)CN(CC(C)(C)c1ccccc1)CC2
InChIInChI=1S/C22H30N2/c1-21(2,3)19-13-17-15-24(12-11-20(17)23-14-19)16-22(4,5)18-9-7-6-8-10-18/h6-10,13-14H,11-12,15-16H2,1-5H3
InChIKeyFXDKHPLBJDQULQ-UHFFFAOYSA-N
XLogP4.72
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-3-ol
CID 119030367
1-(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(dimethylamino)ethanone
CID 59766994
3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-amine
CID 118528088
2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
CID 24731665
3-(2-methyl-1-piperazin-1-ylpropan-2-yl)quinoline
CID 116985177
2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908513
1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]pyrrolidin-2-one
CID 86782293
3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
CID 174750188
8-(2-phenylethyl)-7,9-dihydro-6H-pyrido[4,3-b][1,5]naphthyridine
CID 24731687
2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
CID 24731662
3-methyl-7-(2-phenylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
CID 24731725
2-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4,5-dihydroimidazol-1-amine
CID 154448860

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-(2-methyl-2-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 3-tert-butyl-6-(2-methyl-2-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine (CID 135169558) is 3-tert-butyl-6-(2-methyl-2-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 3-tert-butyl-6-(2-methyl-2-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 3-tert-butyl-6-(2-methyl-2-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine is CC(C)(C)c1cnc2c(c1)CN(CC(C)(C)c1ccccc1)CC2.
What is the InChIKey of 3-tert-butyl-6-(2-methyl-2-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is FXDKHPLBJDQULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-21(2,3)19-13-17-15-24(12-11-20(17)23-14-19)16-22(4,5)18-9-7-6-8-10-18/h6-10,13-14H,11-12,15-16H2,1-5H3.
What are the key properties of 3-tert-butyl-6-(2-methyl-2-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine?
3-tert-butyl-6-(2-methyl-2-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 322.50 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(2-methyl-2-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 135169558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).