N-[3-[(7-bromo-1,5-naphthyridin-4-yl)amino]propyl]acetamide

C13H15BrN4O — CID 91660910

IUPACN-[3-[(7-bromo-1,5-naphthyridin-4-yl)amino]propyl]acetamide
SMILESCC(=O)NCCCNc1ccnc2cc(Br)cnc12
InChIInChI=1S/C13H15BrN4O/c1-9(19)15-4-2-5-16-11-3-6-17-12-7-10(14)8-18-13(11)12/h3,6-8H,2,4-5H2,1H3,(H,15,19)(H,16,17)
InChIKeyJRLHNTLYEYTOBM-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.33
Rot. Bonds5

About N-[3-[(7-bromo-1,5-naphthyridin-4-yl)amino]propyl]acetamide

N-[3-[(7-bromo-1,5-naphthyridin-4-yl)amino]propyl]acetamide (PubChem CID 91660910) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is N-[3-[(7-bromo-1,5-naphthyridin-4-yl)amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[(7-bromo-1,5-naphthyridin-4-yl)amino]propyl]acetamide
PubChem CID91660910
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC NameN-[3-[(7-bromo-1,5-naphthyridin-4-yl)amino]propyl]acetamide
SMILESCC(=O)NCCCNc1ccnc2cc(Br)cnc12
InChIInChI=1S/C13H15BrN4O/c1-9(19)15-4-2-5-16-11-3-6-17-12-7-10(14)8-18-13(11)12/h3,6-8H,2,4-5H2,1H3,(H,15,19)(H,16,17)
InChIKeyJRLHNTLYEYTOBM-UHFFFAOYSA-N
XLogP2.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[3-[(7-bromo-1,5-naphthyridin-4-yl)amino]propyl]acetamide?
The IUPAC name of N-[3-[(7-bromo-1,5-naphthyridin-4-yl)amino]propyl]acetamide (CID 91660910) is N-[3-[(7-bromo-1,5-naphthyridin-4-yl)amino]propyl]acetamide.
What is the SMILES notation for N-[3-[(7-bromo-1,5-naphthyridin-4-yl)amino]propyl]acetamide?
The canonical SMILES for N-[3-[(7-bromo-1,5-naphthyridin-4-yl)amino]propyl]acetamide is CC(=O)NCCCNc1ccnc2cc(Br)cnc12.
What is the InChIKey of N-[3-[(7-bromo-1,5-naphthyridin-4-yl)amino]propyl]acetamide?
The InChIKey is JRLHNTLYEYTOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-9(19)15-4-2-5-16-11-3-6-17-12-7-10(14)8-18-13(11)12/h3,6-8H,2,4-5H2,1H3,(H,15,19)(H,16,17).
What are the key properties of N-[3-[(7-bromo-1,5-naphthyridin-4-yl)amino]propyl]acetamide?
N-[3-[(7-bromo-1,5-naphthyridin-4-yl)amino]propyl]acetamide has a molecular weight of 323.19 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-bromo-1,5-naphthyridin-4-yl)amino]propyl]acetamide is sourced from PubChem (CID 91660910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).