N-(6-bromo-2-pyridinyl)-N-pent-4-enylacetamide

C12H15BrN2O — CID 146314667

IUPACN-(6-bromo-2-pyridinyl)-N-pent-4-enylacetamide
SMILESC=CCCCN(C(C)=O)c1cccc(Br)n1
InChIInChI=1S/C12H15BrN2O/c1-3-4-5-9-15(10(2)16)12-8-6-7-11(13)14-12/h3,6-8H,1,4-5,9H2,2H3
InChIKeyKRMLOXKGXXVVPO-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.16
Rot. Bonds5

About N-(6-bromo-2-pyridinyl)-N-pent-4-enylacetamide

N-(6-bromo-2-pyridinyl)-N-pent-4-enylacetamide (PubChem CID 146314667) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-N-pent-4-enylacetamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-N-pent-4-enylacetamide
PubChem CID146314667
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC NameN-(6-bromo-2-pyridinyl)-N-pent-4-enylacetamide
SMILESC=CCCCN(C(C)=O)c1cccc(Br)n1
InChIInChI=1S/C12H15BrN2O/c1-3-4-5-9-15(10(2)16)12-8-6-7-11(13)14-12/h3,6-8H,1,4-5,9H2,2H3
InChIKeyKRMLOXKGXXVVPO-UHFFFAOYSA-N
XLogP3.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N'-2,6-Pyridinediylbisacetamide
CID 95139
N-methyl-N-(pyridin-2-yl)acetamide
CID 3786664
2-Acetamido-5-bromopyridine
CID 293097
1-(5-Bromopyridin-2-yl)-3-butylurea
CID 2103155
N-(5-bromo-2-pyridinyl)pentanamide
CID 2292858
2-[4-[4-(6-Bromo-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 88889390
N-(5-bromopyridin-2-yl)propanamide
CID 774878
N-(5-bromopyridin-2-yl)pent-4-enamide
CID 2265971
N-(5-bromo-2-pyridinyl)butanamide
CID 876084
2-Acetamido-6-aminopyridine
CID 3767345
4-Boc-1-(6-bromo-2-pyridyl)piperazine
CID 16059046
6-Bromo-N,N-diethylpyridin-2-amine
CID 18696589

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-N-pent-4-enylacetamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-N-pent-4-enylacetamide (CID 146314667) is N-(6-bromo-2-pyridinyl)-N-pent-4-enylacetamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-N-pent-4-enylacetamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-N-pent-4-enylacetamide is C=CCCCN(C(C)=O)c1cccc(Br)n1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-N-pent-4-enylacetamide?
The InChIKey is KRMLOXKGXXVVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-3-4-5-9-15(10(2)16)12-8-6-7-11(13)14-12/h3,6-8H,1,4-5,9H2,2H3.
What are the key properties of N-(6-bromo-2-pyridinyl)-N-pent-4-enylacetamide?
N-(6-bromo-2-pyridinyl)-N-pent-4-enylacetamide has a molecular weight of 283.17 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-N-pent-4-enylacetamide is sourced from PubChem (CID 146314667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).