4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis[(dimethylamino)methyl]phenol

C20H24BrN5O — CID 135525370

IUPAC4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis[(dimethylamino)methyl]phenol
SMILESCN(C)Cc1cc(Nc2ccnc3cc(Br)cnc23)cc(CN(C)C)c1O
InChIInChI=1S/C20H24BrN5O/c1-25(2)11-13-7-16(8-14(20(13)27)12-26(3)4)24-17-5-6-22-18-9-15(21)10-23-19(17)18/h5-10,27H,11-12H2,1-4H3,(H,22,24)
InChIKeyRGNUOKRXJAQLPU-UHFFFAOYSA-N
MW430.35 g/mol
LogP3.96
Rot. Bonds6

About 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis[(dimethylamino)methyl]phenol

4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis[(dimethylamino)methyl]phenol (PubChem CID 135525370) has the molecular formula C20H24BrN5O and a molecular weight of 430.35 g/mol. Its IUPAC name is 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis[(dimethylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis[(dimethylamino)methyl]phenol
PubChem CID135525370
Molecular FormulaC20H24BrN5O
Molecular Weight430.35 g/mol
Exact Mass429.12
IUPAC Name4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis[(dimethylamino)methyl]phenol
SMILESCN(C)Cc1cc(Nc2ccnc3cc(Br)cnc23)cc(CN(C)C)c1O
InChIInChI=1S/C20H24BrN5O/c1-25(2)11-13-7-16(8-14(20(13)27)12-26(3)4)24-17-5-6-22-18-9-15(21)10-23-19(17)18/h5-10,27H,11-12H2,1-4H3,(H,22,24)
InChIKeyRGNUOKRXJAQLPU-UHFFFAOYSA-N
XLogP3.96
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis[(dimethylamino)methyl]phenol?
The IUPAC name of 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis[(dimethylamino)methyl]phenol (CID 135525370) is 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis[(dimethylamino)methyl]phenol.
What is the SMILES notation for 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis[(dimethylamino)methyl]phenol?
The canonical SMILES for 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis[(dimethylamino)methyl]phenol is CN(C)Cc1cc(Nc2ccnc3cc(Br)cnc23)cc(CN(C)C)c1O.
What is the InChIKey of 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis[(dimethylamino)methyl]phenol?
The InChIKey is RGNUOKRXJAQLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5O/c1-25(2)11-13-7-16(8-14(20(13)27)12-26(3)4)24-17-5-6-22-18-9-15(21)10-23-19(17)18/h5-10,27H,11-12H2,1-4H3,(H,22,24).
What are the key properties of 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis[(dimethylamino)methyl]phenol?
4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis[(dimethylamino)methyl]phenol has a molecular weight of 430.35 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis[(dimethylamino)methyl]phenol is sourced from PubChem (CID 135525370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).