2-[3-methyl-5-(3-methylpentan-3-yl)phenyl]-1,6-naphthyridine

C21H24N2 — CID 153463443

IUPAC2-[3-methyl-5-(3-methylpentan-3-yl)phenyl]-1,6-naphthyridine
SMILESCCC(C)(CC)c1cc(C)cc(-c2ccc3cnccc3n2)c1
InChIInChI=1S/C21H24N2/c1-5-21(4,6-2)18-12-15(3)11-17(13-18)19-8-7-16-14-22-10-9-20(16)23-19/h7-14H,5-6H2,1-4H3
InChIKeySMJNANJCPCHPAF-UHFFFAOYSA-N
MW304.44 g/mol
LogP5.68
Rot. Bonds4

About 2-[3-methyl-5-(3-methylpentan-3-yl)phenyl]-1,6-naphthyridine

2-[3-methyl-5-(3-methylpentan-3-yl)phenyl]-1,6-naphthyridine (PubChem CID 153463443) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[3-methyl-5-(3-methylpentan-3-yl)phenyl]-1,6-naphthyridine.

Molecular Properties

Compound Name2-[3-methyl-5-(3-methylpentan-3-yl)phenyl]-1,6-naphthyridine
PubChem CID153463443
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name2-[3-methyl-5-(3-methylpentan-3-yl)phenyl]-1,6-naphthyridine
SMILESCCC(C)(CC)c1cc(C)cc(-c2ccc3cnccc3n2)c1
InChIInChI=1S/C21H24N2/c1-5-21(4,6-2)18-12-15(3)11-17(13-18)19-8-7-16-14-22-10-9-20(16)23-19/h7-14H,5-6H2,1-4H3
InChIKeySMJNANJCPCHPAF-UHFFFAOYSA-N
XLogP5.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(3-methylpentan-3-yl)phenyl]-1,6-naphthyridine?
The IUPAC name of 2-[3-methyl-5-(3-methylpentan-3-yl)phenyl]-1,6-naphthyridine (CID 153463443) is 2-[3-methyl-5-(3-methylpentan-3-yl)phenyl]-1,6-naphthyridine.
What is the SMILES notation for 2-[3-methyl-5-(3-methylpentan-3-yl)phenyl]-1,6-naphthyridine?
The canonical SMILES for 2-[3-methyl-5-(3-methylpentan-3-yl)phenyl]-1,6-naphthyridine is CCC(C)(CC)c1cc(C)cc(-c2ccc3cnccc3n2)c1.
What is the InChIKey of 2-[3-methyl-5-(3-methylpentan-3-yl)phenyl]-1,6-naphthyridine?
The InChIKey is SMJNANJCPCHPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-5-21(4,6-2)18-12-15(3)11-17(13-18)19-8-7-16-14-22-10-9-20(16)23-19/h7-14H,5-6H2,1-4H3.
What are the key properties of 2-[3-methyl-5-(3-methylpentan-3-yl)phenyl]-1,6-naphthyridine?
2-[3-methyl-5-(3-methylpentan-3-yl)phenyl]-1,6-naphthyridine has a molecular weight of 304.44 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(3-methylpentan-3-yl)phenyl]-1,6-naphthyridine is sourced from PubChem (CID 153463443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).