6-butyl-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine

C21H34N2O — CID 16758852

IUPAC6-butyl-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine
SMILESCCCCc1nc2c(c3c1CC(C)OC3)CN(CCC(C)C)CC2
InChIInChI=1S/C21H34N2O/c1-5-6-7-20-17-12-16(4)24-14-19(17)18-13-23(10-8-15(2)3)11-9-21(18)22-20/h15-16H,5-14H2,1-4H3
InChIKeyBVSVQIFXGNUTCZ-UHFFFAOYSA-N
MW330.52 g/mol
LogP4.29
Rot. Bonds6

About 6-butyl-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine

6-butyl-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine (PubChem CID 16758852) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is 6-butyl-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine.

Molecular Properties

Compound Name6-butyl-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine
PubChem CID16758852
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name6-butyl-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine
SMILESCCCCc1nc2c(c3c1CC(C)OC3)CN(CCC(C)C)CC2
InChIInChI=1S/C21H34N2O/c1-5-6-7-20-17-12-16(4)24-14-19(17)18-13-23(10-8-15(2)3)11-9-21(18)22-20/h15-16H,5-14H2,1-4H3
InChIKeyBVSVQIFXGNUTCZ-UHFFFAOYSA-N
XLogP4.29
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine?
The IUPAC name of 6-butyl-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine (CID 16758852) is 6-butyl-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine.
What is the SMILES notation for 6-butyl-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine?
The canonical SMILES for 6-butyl-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine is CCCCc1nc2c(c3c1CC(C)OC3)CN(CCC(C)C)CC2.
What is the InChIKey of 6-butyl-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine?
The InChIKey is BVSVQIFXGNUTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-5-6-7-20-17-12-16(4)24-14-19(17)18-13-23(10-8-15(2)3)11-9-21(18)22-20/h15-16H,5-14H2,1-4H3.
What are the key properties of 6-butyl-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine?
6-butyl-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine has a molecular weight of 330.52 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine is sourced from PubChem (CID 16758852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).