N-(5-bromo-2-pyridinyl)acetamide;propan-2-one;toluene

C17H21BrN2O2 — CID 142082938

IUPACN-(5-bromo-2-pyridinyl)acetamide;propan-2-one;toluene
SMILESCC(=O)Nc1ccc(Br)cn1.CC(C)=O.Cc1ccccc1
InChIInChI=1S/C7H7BrN2O.C7H8.C3H6O/c1-5(11)10-7-3-2-6(8)4-9-7;1-7-5-3-2-4-6-7;1-3(2)4/h2-4H,1H3,(H,9,10,11);2-6H,1H3;1-2H3
InChIKeyDXXJYUBGMWJQCF-UHFFFAOYSA-N
MW365.27 g/mol
LogP4.39
Rot. Bonds1

About N-(5-bromo-2-pyridinyl)acetamide;propan-2-one;toluene

N-(5-bromo-2-pyridinyl)acetamide;propan-2-one;toluene (PubChem CID 142082938) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)acetamide;propan-2-one;toluene.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)acetamide;propan-2-one;toluene
PubChem CID142082938
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC NameN-(5-bromo-2-pyridinyl)acetamide;propan-2-one;toluene
SMILESCC(=O)Nc1ccc(Br)cn1.CC(C)=O.Cc1ccccc1
InChIInChI=1S/C7H7BrN2O.C7H8.C3H6O/c1-5(11)10-7-3-2-6(8)4-9-7;1-7-5-3-2-4-6-7;1-3(2)4/h2-4H,1H3,(H,9,10,11);2-6H,1H3;1-2H3
InChIKeyDXXJYUBGMWJQCF-UHFFFAOYSA-N
XLogP4.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-phenylethyl)-
CID 2429552
Acetamide, N-((3-(2-((((5-bromo-2-pyridinyl)amino)thioxomethyl)amino)ethyl)-2,4-difluorophenyl)methyl)-
CID 3001146
1-(5-Bromopyridin-2-yl)-3-{2-[3-(dimethylamino)-2,6-difluorophenyl]ethyl}urea
CID 469200
PETT deriv. 15
CID 492704
2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
CID 6612586
Thiourea, N-(3-bromo-2-pyridinyl)-N'-(2-phenylethyl)-
CID 3001118
2-Acetamido-3-methylpyridine
CID 268295
2-Acetoacetamido-4-methylpyridine
CID 459529
2-Acetamido-5-bromopyridine
CID 293097
N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)acrylamide
CID 800747
4-phenyl-N-(2-pyridinyl)butanamide
CID 836507
N-(5-methylpyridin-2-yl)-4-phenylbutanamide
CID 838086

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)acetamide;propan-2-one;toluene?
The IUPAC name of N-(5-bromo-2-pyridinyl)acetamide;propan-2-one;toluene (CID 142082938) is N-(5-bromo-2-pyridinyl)acetamide;propan-2-one;toluene.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)acetamide;propan-2-one;toluene?
The canonical SMILES for N-(5-bromo-2-pyridinyl)acetamide;propan-2-one;toluene is CC(=O)Nc1ccc(Br)cn1.CC(C)=O.Cc1ccccc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)acetamide;propan-2-one;toluene?
The InChIKey is DXXJYUBGMWJQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O.C7H8.C3H6O/c1-5(11)10-7-3-2-6(8)4-9-7;1-7-5-3-2-4-6-7;1-3(2)4/h2-4H,1H3,(H,9,10,11);2-6H,1H3;1-2H3.
What are the key properties of N-(5-bromo-2-pyridinyl)acetamide;propan-2-one;toluene?
N-(5-bromo-2-pyridinyl)acetamide;propan-2-one;toluene has a molecular weight of 365.27 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)acetamide;propan-2-one;toluene is sourced from PubChem (CID 142082938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).