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

C19H19BrN4O — CID 133481539

IUPAC2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)c1ccnc2cc(Br)cnc12
InChIInChI=1S/C19H19BrN4O/c1-3-13-6-4-5-7-15(13)23-18(25)12-24(2)17-8-9-21-16-10-14(20)11-22-19(16)17/h4-11H,3,12H2,1-2H3,(H,23,25)
InChIKeyWIBWALIYDFVTPP-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.03
Rot. Bonds5

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

2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(2-ethylphenyl)acetamide (PubChem CID 133481539) has the molecular formula C19H19BrN4O and a molecular weight of 399.29 g/mol. Its IUPAC name is 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(2-ethylphenyl)acetamide
PubChem CID133481539
Molecular FormulaC19H19BrN4O
Molecular Weight399.29 g/mol
Exact Mass398.07
IUPAC Name2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)c1ccnc2cc(Br)cnc12
InChIInChI=1S/C19H19BrN4O/c1-3-13-6-4-5-7-15(13)23-18(25)12-24(2)17-8-9-21-16-10-14(20)11-22-19(16)17/h4-11H,3,12H2,1-2H3,(H,23,25)
InChIKeyWIBWALIYDFVTPP-UHFFFAOYSA-N
XLogP4.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(7-bromo-1,5-naphthyridin-4-yl)-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 133481443
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 22516457
N-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide
CID 9195857
2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 9039948
N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46562888
7-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,5-naphthyridin-4-amine
CID 133483821
5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine
CID 63463330
2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide
CID 113178115
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9304031
N-(2-ethylphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9195854
N-(2-ethylphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 27095559
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876

Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(2-ethylphenyl)acetamide (CID 133481539) is 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(C)c1ccnc2cc(Br)cnc12.
What is the InChIKey of 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is WIBWALIYDFVTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O/c1-3-13-6-4-5-7-15(13)23-18(25)12-24(2)17-8-9-21-16-10-14(20)11-22-19(16)17/h4-11H,3,12H2,1-2H3,(H,23,25).
What are the key properties of 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(2-ethylphenyl)acetamide?
2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 399.29 g/mol, XLogP of 4.03, 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)-methylamino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 133481539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).