1-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2,6-naphthyridine

C18H19N5 — CID 68599583

IUPAC1-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2,6-naphthyridine
SMILESCN1CCN(c2nc(-c3ccncc3)cc3cnccc23)CC1
InChIInChI=1S/C18H19N5/c1-22-8-10-23(11-9-22)18-16-4-7-20-13-15(16)12-17(21-18)14-2-5-19-6-3-14/h2-7,12-13H,8-11H2,1H3
InChIKeyVENDCZIAUMNFOR-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.44
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2,6-naphthyridine

1-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2,6-naphthyridine (PubChem CID 68599583) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2,6-naphthyridine.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2,6-naphthyridine
PubChem CID68599583
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name1-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2,6-naphthyridine
SMILESCN1CCN(c2nc(-c3ccncc3)cc3cnccc23)CC1
InChIInChI=1S/C18H19N5/c1-22-8-10-23(11-9-22)18-16-4-7-20-13-15(16)12-17(21-18)14-2-5-19-6-3-14/h2-7,12-13H,8-11H2,1H3
InChIKeyVENDCZIAUMNFOR-UHFFFAOYSA-N
XLogP2.44
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2,6-naphthyridine?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2,6-naphthyridine (CID 68599583) is 1-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2,6-naphthyridine.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2,6-naphthyridine?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2,6-naphthyridine is CN1CCN(c2nc(-c3ccncc3)cc3cnccc23)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2,6-naphthyridine?
The InChIKey is VENDCZIAUMNFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-22-8-10-23(11-9-22)18-16-4-7-20-13-15(16)12-17(21-18)14-2-5-19-6-3-14/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2,6-naphthyridine?
1-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2,6-naphthyridine has a molecular weight of 305.38 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2,6-naphthyridine is sourced from PubChem (CID 68599583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).