2,4-dimethyl-7-(4-methylidenepiperidin-1-yl)-1,8-naphthyridine

C16H19N3 — CID 172900977

IUPAC2,4-dimethyl-7-(4-methylidenepiperidin-1-yl)-1,8-naphthyridine
SMILESC=C1CCN(c2ccc3c(C)cc(C)nc3n2)CC1
InChIInChI=1S/C16H19N3/c1-11-6-8-19(9-7-11)15-5-4-14-12(2)10-13(3)17-16(14)18-15/h4-5,10H,1,6-9H2,2-3H3
InChIKeyLWRRZJKTYXRYAM-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.40
Rot. Bonds1

About 2,4-dimethyl-7-(4-methylidenepiperidin-1-yl)-1,8-naphthyridine

2,4-dimethyl-7-(4-methylidenepiperidin-1-yl)-1,8-naphthyridine (PubChem CID 172900977) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2,4-dimethyl-7-(4-methylidenepiperidin-1-yl)-1,8-naphthyridine.

Molecular Properties

Compound Name2,4-dimethyl-7-(4-methylidenepiperidin-1-yl)-1,8-naphthyridine
PubChem CID172900977
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2,4-dimethyl-7-(4-methylidenepiperidin-1-yl)-1,8-naphthyridine
SMILESC=C1CCN(c2ccc3c(C)cc(C)nc3n2)CC1
InChIInChI=1S/C16H19N3/c1-11-6-8-19(9-7-11)15-5-4-14-12(2)10-13(3)17-16(14)18-15/h4-5,10H,1,6-9H2,2-3H3
InChIKeyLWRRZJKTYXRYAM-UHFFFAOYSA-N
XLogP3.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-7-(4-methylidenepiperidin-1-yl)-1,8-naphthyridine?
The IUPAC name of 2,4-dimethyl-7-(4-methylidenepiperidin-1-yl)-1,8-naphthyridine (CID 172900977) is 2,4-dimethyl-7-(4-methylidenepiperidin-1-yl)-1,8-naphthyridine.
What is the SMILES notation for 2,4-dimethyl-7-(4-methylidenepiperidin-1-yl)-1,8-naphthyridine?
The canonical SMILES for 2,4-dimethyl-7-(4-methylidenepiperidin-1-yl)-1,8-naphthyridine is C=C1CCN(c2ccc3c(C)cc(C)nc3n2)CC1.
What is the InChIKey of 2,4-dimethyl-7-(4-methylidenepiperidin-1-yl)-1,8-naphthyridine?
The InChIKey is LWRRZJKTYXRYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-11-6-8-19(9-7-11)15-5-4-14-12(2)10-13(3)17-16(14)18-15/h4-5,10H,1,6-9H2,2-3H3.
What are the key properties of 2,4-dimethyl-7-(4-methylidenepiperidin-1-yl)-1,8-naphthyridine?
2,4-dimethyl-7-(4-methylidenepiperidin-1-yl)-1,8-naphthyridine has a molecular weight of 253.35 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-7-(4-methylidenepiperidin-1-yl)-1,8-naphthyridine is sourced from PubChem (CID 172900977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).