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

C17H19N5O — CID 25020248

IUPAC3-[[3-[2-(methylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]propan-1-ol
SMILESCNc1cc(-c2cc3cnccc3c(NCCCO)n2)ccn1
InChIInChI=1S/C17H19N5O/c1-18-16-10-12(3-7-20-16)15-9-13-11-19-6-4-14(13)17(22-15)21-5-2-8-23/h3-4,6-7,9-11,23H,2,5,8H2,1H3,(H,18,20)(H,21,22)
InChIKeyWZOQKGRFRIFIEB-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.53
Rot. Bonds6

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

3-[[3-[2-(methylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]propan-1-ol (PubChem CID 25020248) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[[3-[2-(methylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-[2-(methylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]propan-1-ol
PubChem CID25020248
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-[[3-[2-(methylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]propan-1-ol
SMILESCNc1cc(-c2cc3cnccc3c(NCCCO)n2)ccn1
InChIInChI=1S/C17H19N5O/c1-18-16-10-12(3-7-20-16)15-9-13-11-19-6-4-14(13)17(22-15)21-5-2-8-23/h3-4,6-7,9-11,23H,2,5,8H2,1H3,(H,18,20)(H,21,22)
InChIKeyWZOQKGRFRIFIEB-UHFFFAOYSA-N
XLogP2.53
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[2-(methylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]propan-1-ol?
The IUPAC name of 3-[[3-[2-(methylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]propan-1-ol (CID 25020248) is 3-[[3-[2-(methylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[3-[2-(methylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[3-[2-(methylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]propan-1-ol is CNc1cc(-c2cc3cnccc3c(NCCCO)n2)ccn1.
What is the InChIKey of 3-[[3-[2-(methylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]propan-1-ol?
The InChIKey is WZOQKGRFRIFIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-18-16-10-12(3-7-20-16)15-9-13-11-19-6-4-14(13)17(22-15)21-5-2-8-23/h3-4,6-7,9-11,23H,2,5,8H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 3-[[3-[2-(methylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]propan-1-ol?
3-[[3-[2-(methylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]propan-1-ol has a molecular weight of 309.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[2-(methylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]propan-1-ol is sourced from PubChem (CID 25020248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).