2-amino-5-[5-(3-aminopropylamino)-1,6-naphthyridin-7-yl]phenol

C17H19N5O — CID 142261723

IUPAC2-amino-5-[5-(3-aminopropylamino)-1,6-naphthyridin-7-yl]phenol
SMILESNCCCNc1nc(-c2ccc(N)c(O)c2)cc2ncccc12
InChIInChI=1S/C17H19N5O/c18-6-2-8-21-17-12-3-1-7-20-15(12)10-14(22-17)11-4-5-13(19)16(23)9-11/h1,3-5,7,9-10,23H,2,6,8,18-19H2,(H,21,22)
InChIKeyWHTLCKICHSHRSX-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.35
Rot. Bonds5

About 2-amino-5-[5-(3-aminopropylamino)-1,6-naphthyridin-7-yl]phenol

2-amino-5-[5-(3-aminopropylamino)-1,6-naphthyridin-7-yl]phenol (PubChem CID 142261723) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-amino-5-[5-(3-aminopropylamino)-1,6-naphthyridin-7-yl]phenol.

Molecular Properties

Compound Name2-amino-5-[5-(3-aminopropylamino)-1,6-naphthyridin-7-yl]phenol
PubChem CID142261723
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-amino-5-[5-(3-aminopropylamino)-1,6-naphthyridin-7-yl]phenol
SMILESNCCCNc1nc(-c2ccc(N)c(O)c2)cc2ncccc12
InChIInChI=1S/C17H19N5O/c18-6-2-8-21-17-12-3-1-7-20-15(12)10-14(22-17)11-4-5-13(19)16(23)9-11/h1,3-5,7,9-10,23H,2,6,8,18-19H2,(H,21,22)
InChIKeyWHTLCKICHSHRSX-UHFFFAOYSA-N
XLogP2.35
TPSA110.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[5-(3-aminopropylamino)-1,6-naphthyridin-7-yl]phenol?
The IUPAC name of 2-amino-5-[5-(3-aminopropylamino)-1,6-naphthyridin-7-yl]phenol (CID 142261723) is 2-amino-5-[5-(3-aminopropylamino)-1,6-naphthyridin-7-yl]phenol.
What is the SMILES notation for 2-amino-5-[5-(3-aminopropylamino)-1,6-naphthyridin-7-yl]phenol?
The canonical SMILES for 2-amino-5-[5-(3-aminopropylamino)-1,6-naphthyridin-7-yl]phenol is NCCCNc1nc(-c2ccc(N)c(O)c2)cc2ncccc12.
What is the InChIKey of 2-amino-5-[5-(3-aminopropylamino)-1,6-naphthyridin-7-yl]phenol?
The InChIKey is WHTLCKICHSHRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c18-6-2-8-21-17-12-3-1-7-20-15(12)10-14(22-17)11-4-5-13(19)16(23)9-11/h1,3-5,7,9-10,23H,2,6,8,18-19H2,(H,21,22).
What are the key properties of 2-amino-5-[5-(3-aminopropylamino)-1,6-naphthyridin-7-yl]phenol?
2-amino-5-[5-(3-aminopropylamino)-1,6-naphthyridin-7-yl]phenol has a molecular weight of 309.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[5-(3-aminopropylamino)-1,6-naphthyridin-7-yl]phenol is sourced from PubChem (CID 142261723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).