4-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-methylbutanamide

C14H17BrN4O — CID 86797300

IUPAC4-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-methylbutanamide
SMILESCNC(=O)CCCN(C)c1ccnc2cc(Br)cnc12
InChIInChI=1S/C14H17BrN4O/c1-16-13(20)4-3-7-19(2)12-5-6-17-11-8-10(15)9-18-14(11)12/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,20)
InChIKeyGEMGWJMBQIBXRH-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.35
Rot. Bonds5

About 4-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-methylbutanamide

4-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-methylbutanamide (PubChem CID 86797300) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-methylbutanamide.

Molecular Properties

Compound Name4-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-methylbutanamide
PubChem CID86797300
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name4-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-methylbutanamide
SMILESCNC(=O)CCCN(C)c1ccnc2cc(Br)cnc12
InChIInChI=1S/C14H17BrN4O/c1-16-13(20)4-3-7-19(2)12-5-6-17-11-8-10(15)9-18-14(11)12/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,20)
InChIKeyGEMGWJMBQIBXRH-UHFFFAOYSA-N
XLogP2.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-methylbutanamide?
The IUPAC name of 4-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-methylbutanamide (CID 86797300) is 4-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-methylbutanamide.
What is the SMILES notation for 4-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-methylbutanamide?
The canonical SMILES for 4-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-methylbutanamide is CNC(=O)CCCN(C)c1ccnc2cc(Br)cnc12.
What is the InChIKey of 4-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-methylbutanamide?
The InChIKey is GEMGWJMBQIBXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-16-13(20)4-3-7-19(2)12-5-6-17-11-8-10(15)9-18-14(11)12/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,20).
What are the key properties of 4-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-methylbutanamide?
4-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-methylbutanamide has a molecular weight of 337.22 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-methylbutanamide is sourced from PubChem (CID 86797300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).