2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(3,5-difluorophenyl)acetamide

C17H13BrF2N4O — CID 133482907

IUPAC2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(3,5-difluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)c1ccnc2cc(Br)cnc12
InChIInChI=1S/C17H13BrF2N4O/c1-24(9-16(25)23-13-6-11(19)5-12(20)7-13)15-2-3-21-14-4-10(18)8-22-17(14)15/h2-8H,9H2,1H3,(H,23,25)
InChIKeyXRCQXIDIAHNCCP-UHFFFAOYSA-N
MW407.22 g/mol
LogP3.75
Rot. Bonds4

About 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(3,5-difluorophenyl)acetamide

2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(3,5-difluorophenyl)acetamide (PubChem CID 133482907) has the molecular formula C17H13BrF2N4O and a molecular weight of 407.22 g/mol. Its IUPAC name is 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(3,5-difluorophenyl)acetamide
PubChem CID133482907
Molecular FormulaC17H13BrF2N4O
Molecular Weight407.22 g/mol
Exact Mass406.02
IUPAC Name2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(3,5-difluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)c1ccnc2cc(Br)cnc12
InChIInChI=1S/C17H13BrF2N4O/c1-24(9-16(25)23-13-6-11(19)5-12(20)7-13)15-2-3-21-14-4-10(18)8-22-17(14)15/h2-8H,9H2,1H3,(H,23,25)
InChIKeyXRCQXIDIAHNCCP-UHFFFAOYSA-N
XLogP3.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.22
LogP ≤ 53.75
H-Bond Donors ≤ 51
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]-methylamino]acetamide
CID 171345953
2-[[2-(4-Bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]acetamide
CID 171346003
2-[[2-(4-Bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]propanamide
CID 171347333
(2R)-2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide
CID 171351839
(2S)-2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide
CID 171354852
2-[(7-fluoroquinolin-4-yl)amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 72135904
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
N-[3-[(7-bromo-1,5-naphthyridin-4-yl)amino]propyl]acetamide
CID 91660910
N~1~-(4-fluorophenyl)-N~2~-methyl-N~2~-(quinoxalin-2-ylmethyl)alaninamide
CID 91831576
1-(7-Bromo-1,5-naphthyridin-4-yl)-3-(2,2,2-trifluoroethyl)urea
CID 58310526

Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(3,5-difluorophenyl)acetamide (CID 133482907) is 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(3,5-difluorophenyl)acetamide is CN(CC(=O)Nc1cc(F)cc(F)c1)c1ccnc2cc(Br)cnc12.
What is the InChIKey of 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(3,5-difluorophenyl)acetamide?
The InChIKey is XRCQXIDIAHNCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF2N4O/c1-24(9-16(25)23-13-6-11(19)5-12(20)7-13)15-2-3-21-14-4-10(18)8-22-17(14)15/h2-8H,9H2,1H3,(H,23,25).
What are the key properties of 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(3,5-difluorophenyl)acetamide?
2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(3,5-difluorophenyl)acetamide has a molecular weight of 407.22 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 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)-methylamino]-N-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 133482907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).