2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide

C36H38Br2Cl2N6O3 — CID 145199344

IUPAC2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide
SMILESCC(=O)N(CCc1cccc(Br)c1)CC(=O)Nc1ccc(Cl)cn1.O=C(CN(CCc1cccc(Br)c1)CC1CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H21BrClN3O.C17H17BrClN3O2/c20-16-3-1-2-14(10-16)8-9-24(12-15-4-5-15)13-19(25)23-18-7-6-17(21)11-22-18;1-12(23)22(8-7-13-3-2-4-14(18)9-13)11-17(24)21-16-6-5-15(19)10-20-16/h1-3,6-7,10-11,15H,4-5,8-9,12-13H2,(H,22,23,25);2-6,9-10H,7-8,11H2,1H3,(H,20,21,24)
InChIKeyAURMVRFTNWNYBT-UHFFFAOYSA-N
MW833.45 g/mol
LogP7.92
Rot. Bonds14

About 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide

2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 145199344) has the molecular formula C36H38Br2Cl2N6O3 and a molecular weight of 833.45 g/mol. Its IUPAC name is 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID145199344
Molecular FormulaC36H38Br2Cl2N6O3
Molecular Weight833.45 g/mol
Exact Mass830.07
IUPAC Name2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide
SMILESCC(=O)N(CCc1cccc(Br)c1)CC(=O)Nc1ccc(Cl)cn1.O=C(CN(CCc1cccc(Br)c1)CC1CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H21BrClN3O.C17H17BrClN3O2/c20-16-3-1-2-14(10-16)8-9-24(12-15-4-5-15)13-19(25)23-18-7-6-17(21)11-22-18;1-12(23)22(8-7-13-3-2-4-14(18)9-13)11-17(24)21-16-6-5-15(19)10-20-16/h1-3,6-7,10-11,15H,4-5,8-9,12-13H2,(H,22,23,25);2-6,9-10H,7-8,11H2,1H3,(H,20,21,24)
InChIKeyAURMVRFTNWNYBT-UHFFFAOYSA-N
XLogP7.92
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.45
LogP ≤ 57.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide with MolForge

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Related Compounds

N-((3-bromopyridin-4-yl)methyl)-2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-N-ethylacetamide
CID 54581020
2-(4-benzylpiperazin-1-yl)-N-(5-chloropyridin-2-yl)acetamide
CID 971239
2,3-Piperazinedione, 1-((4-((5-chloro-2-pyridinyl)amino)phenyl)methyl)-4-(phenylmethyl)-
CID 3060269
N-(5-bromo-2-pyridinyl)-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 17278401
N-(5-bromo-2-pyridinyl)-2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195531
N-(4-bromo-2-methylphenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 27207880
N-(5-bromo-2-pyridinyl)-2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetamide
CID 36294028
N-(5-bromo-2-pyridinyl)-2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 46808457
1-[2-(3-bromo-4-fluorophenyl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55923769
2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)propanamide
CID 56191696
N-(5-bromo-2-pyridinyl)-2-[1-(3-chloro-4-fluorophenyl)ethyl-methylamino]acetamide
CID 56549597
2-(4-benzylpiperidin-1-yl)-N-(5-chloropyridin-2-yl)acetamide
CID 1252627

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide (CID 145199344) is 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide is CC(=O)N(CCc1cccc(Br)c1)CC(=O)Nc1ccc(Cl)cn1.O=C(CN(CCc1cccc(Br)c1)CC1CC1)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is AURMVRFTNWNYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClN3O.C17H17BrClN3O2/c20-16-3-1-2-14(10-16)8-9-24(12-15-4-5-15)13-19(25)23-18-7-6-17(21)11-22-18;1-12(23)22(8-7-13-3-2-4-14(18)9-13)11-17(24)21-16-6-5-15(19)10-20-16/h1-3,6-7,10-11,15H,4-5,8-9,12-13H2,(H,22,23,25);2-6,9-10H,7-8,11H2,1H3,(H,20,21,24).
What are the key properties of 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide?
2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 833.45 g/mol, XLogP of 7.92, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 145199344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).