3-(2-chloro-4-pyridinyl)-1-piperazin-1-yl-2,6-naphthyridine

C17H16ClN5 — CID 46899551

IUPAC3-(2-chloro-4-pyridinyl)-1-piperazin-1-yl-2,6-naphthyridine
SMILESClc1cc(-c2cc3cnccc3c(N3CCNCC3)n2)ccn1
InChIInChI=1S/C17H16ClN5/c18-16-10-12(1-4-21-16)15-9-13-11-20-3-2-14(13)17(22-15)23-7-5-19-6-8-23/h1-4,9-11,19H,5-8H2
InChIKeyGAEKZIARZJRZTM-UHFFFAOYSA-N
MW325.80 g/mol
LogP2.75
Rot. Bonds2

About 3-(2-chloro-4-pyridinyl)-1-piperazin-1-yl-2,6-naphthyridine

3-(2-chloro-4-pyridinyl)-1-piperazin-1-yl-2,6-naphthyridine (PubChem CID 46899551) has the molecular formula C17H16ClN5 and a molecular weight of 325.80 g/mol. Its IUPAC name is 3-(2-chloro-4-pyridinyl)-1-piperazin-1-yl-2,6-naphthyridine.

Molecular Properties

Compound Name3-(2-chloro-4-pyridinyl)-1-piperazin-1-yl-2,6-naphthyridine
PubChem CID46899551
Molecular FormulaC17H16ClN5
Molecular Weight325.80 g/mol
Exact Mass325.11
IUPAC Name3-(2-chloro-4-pyridinyl)-1-piperazin-1-yl-2,6-naphthyridine
SMILESClc1cc(-c2cc3cnccc3c(N3CCNCC3)n2)ccn1
InChIInChI=1S/C17H16ClN5/c18-16-10-12(1-4-21-16)15-9-13-11-20-3-2-14(13)17(22-15)23-7-5-19-6-8-23/h1-4,9-11,19H,5-8H2
InChIKeyGAEKZIARZJRZTM-UHFFFAOYSA-N
XLogP2.75
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-pyridinyl)-1-piperazin-1-yl-2,6-naphthyridine?
The IUPAC name of 3-(2-chloro-4-pyridinyl)-1-piperazin-1-yl-2,6-naphthyridine (CID 46899551) is 3-(2-chloro-4-pyridinyl)-1-piperazin-1-yl-2,6-naphthyridine.
What is the SMILES notation for 3-(2-chloro-4-pyridinyl)-1-piperazin-1-yl-2,6-naphthyridine?
The canonical SMILES for 3-(2-chloro-4-pyridinyl)-1-piperazin-1-yl-2,6-naphthyridine is Clc1cc(-c2cc3cnccc3c(N3CCNCC3)n2)ccn1.
What is the InChIKey of 3-(2-chloro-4-pyridinyl)-1-piperazin-1-yl-2,6-naphthyridine?
The InChIKey is GAEKZIARZJRZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5/c18-16-10-12(1-4-21-16)15-9-13-11-20-3-2-14(13)17(22-15)23-7-5-19-6-8-23/h1-4,9-11,19H,5-8H2.
What are the key properties of 3-(2-chloro-4-pyridinyl)-1-piperazin-1-yl-2,6-naphthyridine?
3-(2-chloro-4-pyridinyl)-1-piperazin-1-yl-2,6-naphthyridine has a molecular weight of 325.80 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-pyridinyl)-1-piperazin-1-yl-2,6-naphthyridine is sourced from PubChem (CID 46899551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).