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

C12H10BrF3N4O — CID 133482187

IUPAC2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1ccnc2cc(Br)cnc12)NCC(F)(F)F
InChIInChI=1S/C12H10BrF3N4O/c13-7-3-9-11(19-4-7)8(1-2-17-9)18-5-10(21)20-6-12(14,15)16/h1-4H,5-6H2,(H,17,18)(H,20,21)
InChIKeyGWUYBCFTIAYAPJ-UHFFFAOYSA-N
MW363.14 g/mol
LogP2.48
Rot. Bonds4

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

2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 133482187) has the molecular formula C12H10BrF3N4O and a molecular weight of 363.14 g/mol. Its IUPAC name is 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID133482187
Molecular FormulaC12H10BrF3N4O
Molecular Weight363.14 g/mol
Exact Mass362.00
IUPAC Name2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1ccnc2cc(Br)cnc12)NCC(F)(F)F
InChIInChI=1S/C12H10BrF3N4O/c13-7-3-9-11(19-4-7)8(1-2-17-9)18-5-10(21)20-6-12(14,15)16/h1-4H,5-6H2,(H,17,18)(H,20,21)
InChIKeyGWUYBCFTIAYAPJ-UHFFFAOYSA-N
XLogP2.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.14
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-N-(7-bromo-1,5-naphthyridin-4-yl)-2-N-methylpropane-1,2-diamine
CID 164638865
2-[[2-(4-Bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]acetamide
CID 171346003
4-(7-Bromoquinolin-4-yl)piperazin-2-one
CID 60318913
3-[2-[(7-Bromo-1,5-naphthyridin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 86787923
4-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-methylbutanamide
CID 86797300
(2R)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]butan-1-ol
CID 86816154
N-[3-[(7-bromo-1,5-naphthyridin-4-yl)amino]propyl]acetamide
CID 91660910
1-(7-Bromo-1,5-naphthyridin-4-yl)-3-(2,2,2-trifluoroethyl)urea
CID 58310526
1-(7-Bromo-1,5-naphthyridin-4-yl)-3-(3,3-difluorocyclobutyl)urea
CID 58310542
7-bromo-3-N-(2-fluoro-2-methylpropyl)-1,5-naphthyridine-3,4-diamine
CID 67052306
8-Bromo-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide
CID 90178147
3-fluoro-2-(1-fluoroethenyl)-N-(1,5-naphthyridin-3-yl)penta-2,4-dienamide
CID 123386198

Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 133482187) is 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNc1ccnc2cc(Br)cnc12)NCC(F)(F)F.
What is the InChIKey of 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GWUYBCFTIAYAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N4O/c13-7-3-9-11(19-4-7)8(1-2-17-9)18-5-10(21)20-6-12(14,15)16/h1-4H,5-6H2,(H,17,18)(H,20,21).
What are the key properties of 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 363.14 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 133482187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).