2-[(7-bromo-1,5-naphthyridin-4-yl)-ethylamino]-N-(2,6-difluorophenyl)acetamide

C18H15BrF2N4O — CID 133481501

IUPAC2-[(7-bromo-1,5-naphthyridin-4-yl)-ethylamino]-N-(2,6-difluorophenyl)acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)c1ccnc2cc(Br)cnc12
InChIInChI=1S/C18H15BrF2N4O/c1-2-25(10-16(26)24-17-12(20)4-3-5-13(17)21)15-6-7-22-14-8-11(19)9-23-18(14)15/h3-9H,2,10H2,1H3,(H,24,26)
InChIKeyRRTIAKBOHIIJGW-UHFFFAOYSA-N
MW421.25 g/mol
LogP4.14
Rot. Bonds5

About 2-[(7-bromo-1,5-naphthyridin-4-yl)-ethylamino]-N-(2,6-difluorophenyl)acetamide

2-[(7-bromo-1,5-naphthyridin-4-yl)-ethylamino]-N-(2,6-difluorophenyl)acetamide (PubChem CID 133481501) has the molecular formula C18H15BrF2N4O and a molecular weight of 421.25 g/mol. Its IUPAC name is 2-[(7-bromo-1,5-naphthyridin-4-yl)-ethylamino]-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(7-bromo-1,5-naphthyridin-4-yl)-ethylamino]-N-(2,6-difluorophenyl)acetamide
PubChem CID133481501
Molecular FormulaC18H15BrF2N4O
Molecular Weight421.25 g/mol
Exact Mass420.04
IUPAC Name2-[(7-bromo-1,5-naphthyridin-4-yl)-ethylamino]-N-(2,6-difluorophenyl)acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)c1ccnc2cc(Br)cnc12
InChIInChI=1S/C18H15BrF2N4O/c1-2-25(10-16(26)24-17-12(20)4-3-5-13(17)21)15-6-7-22-14-8-11(19)9-23-18(14)15/h3-9H,2,10H2,1H3,(H,24,26)
InChIKeyRRTIAKBOHIIJGW-UHFFFAOYSA-N
XLogP4.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.25
LogP ≤ 54.14
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)-ethylamino]-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-[(7-bromo-1,5-naphthyridin-4-yl)-ethylamino]-N-(2,6-difluorophenyl)acetamide (CID 133481501) is 2-[(7-bromo-1,5-naphthyridin-4-yl)-ethylamino]-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(7-bromo-1,5-naphthyridin-4-yl)-ethylamino]-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-[(7-bromo-1,5-naphthyridin-4-yl)-ethylamino]-N-(2,6-difluorophenyl)acetamide is CCN(CC(=O)Nc1c(F)cccc1F)c1ccnc2cc(Br)cnc12.
What is the InChIKey of 2-[(7-bromo-1,5-naphthyridin-4-yl)-ethylamino]-N-(2,6-difluorophenyl)acetamide?
The InChIKey is RRTIAKBOHIIJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrF2N4O/c1-2-25(10-16(26)24-17-12(20)4-3-5-13(17)21)15-6-7-22-14-8-11(19)9-23-18(14)15/h3-9H,2,10H2,1H3,(H,24,26).
What are the key properties of 2-[(7-bromo-1,5-naphthyridin-4-yl)-ethylamino]-N-(2,6-difluorophenyl)acetamide?
2-[(7-bromo-1,5-naphthyridin-4-yl)-ethylamino]-N-(2,6-difluorophenyl)acetamide has a molecular weight of 421.25 g/mol, XLogP of 4.14, 5 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)-ethylamino]-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 133481501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).