3-[(3-pyridin-4-yl-2,6-naphthyridin-1-yl)amino]propan-1-ol

C16H16N4O — CID 46899547

IUPAC3-[(3-pyridin-4-yl-2,6-naphthyridin-1-yl)amino]propan-1-ol
SMILESOCCCNc1nc(-c2ccncc2)cc2cnccc12
InChIInChI=1S/C16H16N4O/c21-9-1-5-19-16-14-4-8-18-11-13(14)10-15(20-16)12-2-6-17-7-3-12/h2-4,6-8,10-11,21H,1,5,9H2,(H,19,20)
InChIKeyGZHZMFFLSDMMTQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.49
Rot. Bonds5

About 3-[(3-pyridin-4-yl-2,6-naphthyridin-1-yl)amino]propan-1-ol

3-[(3-pyridin-4-yl-2,6-naphthyridin-1-yl)amino]propan-1-ol (PubChem CID 46899547) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[(3-pyridin-4-yl-2,6-naphthyridin-1-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-pyridin-4-yl-2,6-naphthyridin-1-yl)amino]propan-1-ol
PubChem CID46899547
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-[(3-pyridin-4-yl-2,6-naphthyridin-1-yl)amino]propan-1-ol
SMILESOCCCNc1nc(-c2ccncc2)cc2cnccc12
InChIInChI=1S/C16H16N4O/c21-9-1-5-19-16-14-4-8-18-11-13(14)10-15(20-16)12-2-6-17-7-3-12/h2-4,6-8,10-11,21H,1,5,9H2,(H,19,20)
InChIKeyGZHZMFFLSDMMTQ-UHFFFAOYSA-N
XLogP2.49
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-pyridin-4-yl-2,6-naphthyridin-1-yl)amino]propan-1-ol?
The IUPAC name of 3-[(3-pyridin-4-yl-2,6-naphthyridin-1-yl)amino]propan-1-ol (CID 46899547) is 3-[(3-pyridin-4-yl-2,6-naphthyridin-1-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(3-pyridin-4-yl-2,6-naphthyridin-1-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(3-pyridin-4-yl-2,6-naphthyridin-1-yl)amino]propan-1-ol is OCCCNc1nc(-c2ccncc2)cc2cnccc12.
What is the InChIKey of 3-[(3-pyridin-4-yl-2,6-naphthyridin-1-yl)amino]propan-1-ol?
The InChIKey is GZHZMFFLSDMMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-9-1-5-19-16-14-4-8-18-11-13(14)10-15(20-16)12-2-6-17-7-3-12/h2-4,6-8,10-11,21H,1,5,9H2,(H,19,20).
What are the key properties of 3-[(3-pyridin-4-yl-2,6-naphthyridin-1-yl)amino]propan-1-ol?
3-[(3-pyridin-4-yl-2,6-naphthyridin-1-yl)amino]propan-1-ol has a molecular weight of 280.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-pyridin-4-yl-2,6-naphthyridin-1-yl)amino]propan-1-ol is sourced from PubChem (CID 46899547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).