1-pyridin-3-yl-1,2,3,4-tetrahydro-2,7-naphthyridine

C13H13N3 — CID 83970826

IUPAC1-pyridin-3-yl-1,2,3,4-tetrahydro-2,7-naphthyridine
SMILESc1cncc(C2NCCc3ccncc32)c1
InChIInChI=1S/C13H13N3/c1-2-11(8-14-5-1)13-12-9-15-6-3-10(12)4-7-16-13/h1-3,5-6,8-9,13,16H,4,7H2
InChIKeyRQLNNSNSKJBCSN-UHFFFAOYSA-N
MW211.27 g/mol
LogP1.71
Rot. Bonds1

About 1-pyridin-3-yl-1,2,3,4-tetrahydro-2,7-naphthyridine

1-pyridin-3-yl-1,2,3,4-tetrahydro-2,7-naphthyridine (PubChem CID 83970826) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-pyridin-3-yl-1,2,3,4-tetrahydro-2,7-naphthyridine.

Molecular Properties

Compound Name1-pyridin-3-yl-1,2,3,4-tetrahydro-2,7-naphthyridine
PubChem CID83970826
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name1-pyridin-3-yl-1,2,3,4-tetrahydro-2,7-naphthyridine
SMILESc1cncc(C2NCCc3ccncc32)c1
InChIInChI=1S/C13H13N3/c1-2-11(8-14-5-1)13-12-9-15-6-3-10(12)4-7-16-13/h1-3,5-6,8-9,13,16H,4,7H2
InChIKeyRQLNNSNSKJBCSN-UHFFFAOYSA-N
XLogP1.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-pyridin-3-yl-1,2,3,4-tetrahydro-2,7-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-1,2,3,4-tetrahydro-2,7-naphthyridine?
The IUPAC name of 1-pyridin-3-yl-1,2,3,4-tetrahydro-2,7-naphthyridine (CID 83970826) is 1-pyridin-3-yl-1,2,3,4-tetrahydro-2,7-naphthyridine.
What is the SMILES notation for 1-pyridin-3-yl-1,2,3,4-tetrahydro-2,7-naphthyridine?
The canonical SMILES for 1-pyridin-3-yl-1,2,3,4-tetrahydro-2,7-naphthyridine is c1cncc(C2NCCc3ccncc32)c1.
What is the InChIKey of 1-pyridin-3-yl-1,2,3,4-tetrahydro-2,7-naphthyridine?
The InChIKey is RQLNNSNSKJBCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-2-11(8-14-5-1)13-12-9-15-6-3-10(12)4-7-16-13/h1-3,5-6,8-9,13,16H,4,7H2.
What are the key properties of 1-pyridin-3-yl-1,2,3,4-tetrahydro-2,7-naphthyridine?
1-pyridin-3-yl-1,2,3,4-tetrahydro-2,7-naphthyridine has a molecular weight of 211.27 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-1,2,3,4-tetrahydro-2,7-naphthyridine is sourced from PubChem (CID 83970826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).