methyl 2-tert-butyl-7-methyl-6-(trifluoromethyl)-5,8-dihydro-1,7-naphthyridine-6-carboxylate

C16H21F3N2O2 — CID 71505453

IUPACmethyl 2-tert-butyl-7-methyl-6-(trifluoromethyl)-5,8-dihydro-1,7-naphthyridine-6-carboxylate
SMILESCOC(=O)C1(C(F)(F)F)Cc2ccc(C(C)(C)C)nc2CN1C
InChIInChI=1S/C16H21F3N2O2/c1-14(2,3)12-7-6-10-8-15(13(22)23-5,16(17,18)19)21(4)9-11(10)20-12/h6-7H,8-9H2,1-5H3
InChIKeyMAKAXKDBJKIWRM-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.84
Rot. Bonds1

About methyl 2-tert-butyl-7-methyl-6-(trifluoromethyl)-5,8-dihydro-1,7-naphthyridine-6-carboxylate

methyl 2-tert-butyl-7-methyl-6-(trifluoromethyl)-5,8-dihydro-1,7-naphthyridine-6-carboxylate (PubChem CID 71505453) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is methyl 2-tert-butyl-7-methyl-6-(trifluoromethyl)-5,8-dihydro-1,7-naphthyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-tert-butyl-7-methyl-6-(trifluoromethyl)-5,8-dihydro-1,7-naphthyridine-6-carboxylate
PubChem CID71505453
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Namemethyl 2-tert-butyl-7-methyl-6-(trifluoromethyl)-5,8-dihydro-1,7-naphthyridine-6-carboxylate
SMILESCOC(=O)C1(C(F)(F)F)Cc2ccc(C(C)(C)C)nc2CN1C
InChIInChI=1S/C16H21F3N2O2/c1-14(2,3)12-7-6-10-8-15(13(22)23-5,16(17,18)19)21(4)9-11(10)20-12/h6-7H,8-9H2,1-5H3
InChIKeyMAKAXKDBJKIWRM-UHFFFAOYSA-N
XLogP2.84
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-tert-butyl-7-methyl-6-(trifluoromethyl)-5,8-dihydro-1,7-naphthyridine-6-carboxylate?
The IUPAC name of methyl 2-tert-butyl-7-methyl-6-(trifluoromethyl)-5,8-dihydro-1,7-naphthyridine-6-carboxylate (CID 71505453) is methyl 2-tert-butyl-7-methyl-6-(trifluoromethyl)-5,8-dihydro-1,7-naphthyridine-6-carboxylate.
What is the SMILES notation for methyl 2-tert-butyl-7-methyl-6-(trifluoromethyl)-5,8-dihydro-1,7-naphthyridine-6-carboxylate?
The canonical SMILES for methyl 2-tert-butyl-7-methyl-6-(trifluoromethyl)-5,8-dihydro-1,7-naphthyridine-6-carboxylate is COC(=O)C1(C(F)(F)F)Cc2ccc(C(C)(C)C)nc2CN1C.
What is the InChIKey of methyl 2-tert-butyl-7-methyl-6-(trifluoromethyl)-5,8-dihydro-1,7-naphthyridine-6-carboxylate?
The InChIKey is MAKAXKDBJKIWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-14(2,3)12-7-6-10-8-15(13(22)23-5,16(17,18)19)21(4)9-11(10)20-12/h6-7H,8-9H2,1-5H3.
What are the key properties of methyl 2-tert-butyl-7-methyl-6-(trifluoromethyl)-5,8-dihydro-1,7-naphthyridine-6-carboxylate?
methyl 2-tert-butyl-7-methyl-6-(trifluoromethyl)-5,8-dihydro-1,7-naphthyridine-6-carboxylate has a molecular weight of 330.35 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-tert-butyl-7-methyl-6-(trifluoromethyl)-5,8-dihydro-1,7-naphthyridine-6-carboxylate is sourced from PubChem (CID 71505453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).