3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide

C14H17BrN4O — CID 91660936

IUPAC3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ccnc2cc(Br)cnc12
InChIInChI=1S/C14H17BrN4O/c1-14(2,13(20)16-3)8-19-10-4-5-17-11-6-9(15)7-18-12(10)11/h4-7H,8H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyLKGBXAGLYCAWBY-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.58
Rot. Bonds4

About 3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide

3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 91660936) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID91660936
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ccnc2cc(Br)cnc12
InChIInChI=1S/C14H17BrN4O/c1-14(2,13(20)16-3)8-19-10-4-5-17-11-6-9(15)7-18-12(10)11/h4-7H,8H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyLKGBXAGLYCAWBY-UHFFFAOYSA-N
XLogP2.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide (CID 91660936) is 3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1ccnc2cc(Br)cnc12.
What is the InChIKey of 3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is LKGBXAGLYCAWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-14(2,13(20)16-3)8-19-10-4-5-17-11-6-9(15)7-18-12(10)11/h4-7H,8H2,1-3H3,(H,16,20)(H,17,19).
What are the key properties of 3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide?
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 337.22 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 91660936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).