2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide

C18H21BrN4O2 — CID 56549489

IUPAC2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(C)CC(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C18H21BrN4O2/c1-13-3-5-14(6-4-13)9-21-17(24)11-23(2)12-18(25)22-16-8-7-15(19)10-20-16/h3-8,10H,9,11-12H2,1-2H3,(H,21,24)(H,20,22,25)
InChIKeyOLVRZMHAMYMIEJ-UHFFFAOYSA-N
MW405.30 g/mol
LogP2.34
Rot. Bonds7

About 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide

2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 56549489) has the molecular formula C18H21BrN4O2 and a molecular weight of 405.30 g/mol. Its IUPAC name is 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID56549489
Molecular FormulaC18H21BrN4O2
Molecular Weight405.30 g/mol
Exact Mass404.08
IUPAC Name2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(C)CC(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C18H21BrN4O2/c1-13-3-5-14(6-4-13)9-21-17(24)11-23(2)12-18(25)22-16-8-7-15(19)10-20-16/h3-8,10H,9,11-12H2,1-2H3,(H,21,24)(H,20,22,25)
InChIKeyOLVRZMHAMYMIEJ-UHFFFAOYSA-N
XLogP2.34
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 51285623
N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide
CID 47287887
N-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 38171990
N-(5-bromo-2-pyridinyl)-2-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-methylamino]acetamide
CID 51135782
3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60988089
N-[[4-(methoxymethyl)phenyl]methyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 87012824
2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide
CID 120903166
N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 84591088
1-(5-bromo-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867750
2-[(4-hydroxyphenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide
CID 86805753
1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868273
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide (CID 56549489) is 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN(C)CC(=O)Nc2ccc(Br)cn2)cc1.
What is the InChIKey of 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is OLVRZMHAMYMIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O2/c1-13-3-5-14(6-4-13)9-21-17(24)11-23(2)12-18(25)22-16-8-7-15(19)10-20-16/h3-8,10H,9,11-12H2,1-2H3,(H,21,24)(H,20,22,25).
What are the key properties of 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide?
2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 405.30 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 56549489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).