N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide

C10H11BrN2O — CID 169466482

IUPACN-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cncc(Br)c1
InChIInChI=1S/C10H11BrN2O/c1-8(14)13-4-2-3-9-5-10(11)7-12-6-9/h2-3,5-7H,4H2,1H3,(H,13,14)
InChIKeyHOBRBPBIHIMQFU-UHFFFAOYSA-N
MW255.12 g/mol
LogP1.99
Rot. Bonds3

About N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide

N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide (PubChem CID 169466482) has the molecular formula C10H11BrN2O and a molecular weight of 255.12 g/mol. Its IUPAC name is N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide
PubChem CID169466482
Molecular FormulaC10H11BrN2O
Molecular Weight255.12 g/mol
Exact Mass254.01
IUPAC NameN-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cncc(Br)c1
InChIInChI=1S/C10H11BrN2O/c1-8(14)13-4-2-3-9-5-10(11)7-12-6-9/h2-3,5-7H,4H2,1H3,(H,13,14)
InChIKeyHOBRBPBIHIMQFU-UHFFFAOYSA-N
XLogP1.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide
CID 169465196
4-(5-bromo-3-pyridinyl)but-3-enoic acid
CID 170484556
N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide
CID 169466489
N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465232
N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide
CID 169465538
5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid
CID 169465798
N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465561
N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide
CID 169465580
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
4-(5-bromo-3-pyridinyl)but-3-ene-1-thiol
CID 170479354
N-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
CID 169465794
N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide
CID 169466530

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide (CID 169466482) is N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1cncc(Br)c1.
What is the InChIKey of N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide?
The InChIKey is HOBRBPBIHIMQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-8(14)13-4-2-3-9-5-10(11)7-12-6-9/h2-3,5-7H,4H2,1H3,(H,13,14).
What are the key properties of N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide?
N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide has a molecular weight of 255.12 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).