N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide

C18H20BrN3O2 — CID 113055347

IUPACN-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1cccc(Br)c1)Cc1cccnc1
InChIInChI=1S/C18H20BrN3O2/c1-14(23)22(13-16-5-3-7-20-12-16)9-8-21-18(24)11-15-4-2-6-17(19)10-15/h2-7,10,12H,8-9,11,13H2,1H3,(H,21,24)
InChIKeyJDFPPOMREJXZNY-UHFFFAOYSA-N
MW390.28 g/mol
LogP2.55
Rot. Bonds7

About N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide

N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide (PubChem CID 113055347) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide
PubChem CID113055347
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC NameN-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1cccc(Br)c1)Cc1cccnc1
InChIInChI=1S/C18H20BrN3O2/c1-14(23)22(13-16-5-3-7-20-12-16)9-8-21-18(24)11-15-4-2-6-17(19)10-15/h2-7,10,12H,8-9,11,13H2,1H3,(H,21,24)
InChIKeyJDFPPOMREJXZNY-UHFFFAOYSA-N
XLogP2.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(pyridin-3-ylmethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113120356
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113055312
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide
CID 113055305
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113055438
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113055335
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide
CID 113055301
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113055400
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113055342
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113163586
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 62690187
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113055213

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide?
The IUPAC name of N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide (CID 113055347) is N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide.
What is the SMILES notation for N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide?
The canonical SMILES for N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide is CC(=O)N(CCNC(=O)Cc1cccc(Br)c1)Cc1cccnc1.
What is the InChIKey of N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide?
The InChIKey is JDFPPOMREJXZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-14(23)22(13-16-5-3-7-20-12-16)9-8-21-18(24)11-15-4-2-6-17(19)10-15/h2-7,10,12H,8-9,11,13H2,1H3,(H,21,24).
What are the key properties of N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide?
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide has a molecular weight of 390.28 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide is sourced from PubChem (CID 113055347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).