1-piperazin-1-yl-3-pyridin-4-yl-2,6-naphthyridine

C17H17N5 — CID 46901862

IUPAC1-piperazin-1-yl-3-pyridin-4-yl-2,6-naphthyridine
SMILESc1cc(-c2cc3cnccc3c(N3CCNCC3)n2)ccn1
InChIInChI=1S/C17H17N5/c1-4-18-5-2-13(1)16-11-14-12-20-6-3-15(14)17(21-16)22-9-7-19-8-10-22/h1-6,11-12,19H,7-10H2
InChIKeyGVSRILDMSGVJTR-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.10
Rot. Bonds2

About 1-piperazin-1-yl-3-pyridin-4-yl-2,6-naphthyridine

1-piperazin-1-yl-3-pyridin-4-yl-2,6-naphthyridine (PubChem CID 46901862) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-pyridin-4-yl-2,6-naphthyridine.

Molecular Properties

Compound Name1-piperazin-1-yl-3-pyridin-4-yl-2,6-naphthyridine
PubChem CID46901862
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name1-piperazin-1-yl-3-pyridin-4-yl-2,6-naphthyridine
SMILESc1cc(-c2cc3cnccc3c(N3CCNCC3)n2)ccn1
InChIInChI=1S/C17H17N5/c1-4-18-5-2-13(1)16-11-14-12-20-6-3-15(14)17(21-16)22-9-7-19-8-10-22/h1-6,11-12,19H,7-10H2
InChIKeyGVSRILDMSGVJTR-UHFFFAOYSA-N
XLogP2.10
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-pyridin-4-yl-2,6-naphthyridine?
The IUPAC name of 1-piperazin-1-yl-3-pyridin-4-yl-2,6-naphthyridine (CID 46901862) is 1-piperazin-1-yl-3-pyridin-4-yl-2,6-naphthyridine.
What is the SMILES notation for 1-piperazin-1-yl-3-pyridin-4-yl-2,6-naphthyridine?
The canonical SMILES for 1-piperazin-1-yl-3-pyridin-4-yl-2,6-naphthyridine is c1cc(-c2cc3cnccc3c(N3CCNCC3)n2)ccn1.
What is the InChIKey of 1-piperazin-1-yl-3-pyridin-4-yl-2,6-naphthyridine?
The InChIKey is GVSRILDMSGVJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-4-18-5-2-13(1)16-11-14-12-20-6-3-15(14)17(21-16)22-9-7-19-8-10-22/h1-6,11-12,19H,7-10H2.
What are the key properties of 1-piperazin-1-yl-3-pyridin-4-yl-2,6-naphthyridine?
1-piperazin-1-yl-3-pyridin-4-yl-2,6-naphthyridine has a molecular weight of 291.36 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-pyridin-4-yl-2,6-naphthyridine is sourced from PubChem (CID 46901862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).