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

C18H16BrClN4 — CID 141220298

IUPAC4-bromo-3-(2-chloro-4-pyridinyl)-1-piperidin-1-yl-2,6-naphthyridine
SMILESClc1cc(-c2nc(N3CCCCC3)c3ccncc3c2Br)ccn1
InChIInChI=1S/C18H16BrClN4/c19-16-14-11-21-6-5-13(14)18(24-8-2-1-3-9-24)23-17(16)12-4-7-22-15(20)10-12/h4-7,10-11H,1-3,8-9H2
InChIKeyQLTYRVSNJJARHK-UHFFFAOYSA-N
MW403.71 g/mol
LogP5.10
Rot. Bonds2

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

4-bromo-3-(2-chloro-4-pyridinyl)-1-piperidin-1-yl-2,6-naphthyridine (PubChem CID 141220298) has the molecular formula C18H16BrClN4 and a molecular weight of 403.71 g/mol. Its IUPAC name is 4-bromo-3-(2-chloro-4-pyridinyl)-1-piperidin-1-yl-2,6-naphthyridine.

Molecular Properties

Compound Name4-bromo-3-(2-chloro-4-pyridinyl)-1-piperidin-1-yl-2,6-naphthyridine
PubChem CID141220298
Molecular FormulaC18H16BrClN4
Molecular Weight403.71 g/mol
Exact Mass402.02
IUPAC Name4-bromo-3-(2-chloro-4-pyridinyl)-1-piperidin-1-yl-2,6-naphthyridine
SMILESClc1cc(-c2nc(N3CCCCC3)c3ccncc3c2Br)ccn1
InChIInChI=1S/C18H16BrClN4/c19-16-14-11-21-6-5-13(14)18(24-8-2-1-3-9-24)23-17(16)12-4-7-22-15(20)10-12/h4-7,10-11H,1-3,8-9H2
InChIKeyQLTYRVSNJJARHK-UHFFFAOYSA-N
XLogP5.10
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.71
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxamide
CID 46899714
4-[2-(2-chloro-4-pyridinyl)pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 151425197
1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 87241865
6-bromo-4-piperidin-1-yl-2-pyridin-3-ylquinazoline
CID 71274573
2-(2-chloro-4-pyridinyl)pyrazine
CID 71615032
3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
CID 123586407
5-bromo-2-chloro-3-piperidin-1-ylpyrazine
CID 135293554
4-piperidin-1-yl-2-pyridin-4-ylquinazoline
CID 820815
2-bromo-3-piperidin-1-ylpyrazine
CID 130118607
1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine
CID 133373099
3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525
7-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline
CID 114693019

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(2-chloro-4-pyridinyl)-1-piperidin-1-yl-2,6-naphthyridine?
The IUPAC name of 4-bromo-3-(2-chloro-4-pyridinyl)-1-piperidin-1-yl-2,6-naphthyridine (CID 141220298) is 4-bromo-3-(2-chloro-4-pyridinyl)-1-piperidin-1-yl-2,6-naphthyridine.
What is the SMILES notation for 4-bromo-3-(2-chloro-4-pyridinyl)-1-piperidin-1-yl-2,6-naphthyridine?
The canonical SMILES for 4-bromo-3-(2-chloro-4-pyridinyl)-1-piperidin-1-yl-2,6-naphthyridine is Clc1cc(-c2nc(N3CCCCC3)c3ccncc3c2Br)ccn1.
What is the InChIKey of 4-bromo-3-(2-chloro-4-pyridinyl)-1-piperidin-1-yl-2,6-naphthyridine?
The InChIKey is QLTYRVSNJJARHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClN4/c19-16-14-11-21-6-5-13(14)18(24-8-2-1-3-9-24)23-17(16)12-4-7-22-15(20)10-12/h4-7,10-11H,1-3,8-9H2.
What are the key properties of 4-bromo-3-(2-chloro-4-pyridinyl)-1-piperidin-1-yl-2,6-naphthyridine?
4-bromo-3-(2-chloro-4-pyridinyl)-1-piperidin-1-yl-2,6-naphthyridine has a molecular weight of 403.71 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(2-chloro-4-pyridinyl)-1-piperidin-1-yl-2,6-naphthyridine is sourced from PubChem (CID 141220298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).