N-[2-(3-bromo-2-pyridinyl)ethyl]prop-2-enamide

C10H11BrN2O — CID 166428557

IUPACN-[2-(3-bromo-2-pyridinyl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1ncccc1Br
InChIInChI=1S/C10H11BrN2O/c1-2-10(14)13-7-5-9-8(11)4-3-6-12-9/h2-4,6H,1,5,7H2,(H,13,14)
InChIKeyYFHCMUPTRWVZFN-UHFFFAOYSA-N
MW255.11 g/mol
LogP1.69
Rot. Bonds4

About N-[2-(3-bromo-2-pyridinyl)ethyl]prop-2-enamide

N-[2-(3-bromo-2-pyridinyl)ethyl]prop-2-enamide (PubChem CID 166428557) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is N-[2-(3-bromo-2-pyridinyl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(3-bromo-2-pyridinyl)ethyl]prop-2-enamide
PubChem CID166428557
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC NameN-[2-(3-bromo-2-pyridinyl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1ncccc1Br
InChIInChI=1S/C10H11BrN2O/c1-2-10(14)13-7-5-9-8(11)4-3-6-12-9/h2-4,6H,1,5,7H2,(H,13,14)
InChIKeyYFHCMUPTRWVZFN-UHFFFAOYSA-N
XLogP1.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(3-bromo-2-pyridinyl)butan-2-one
CID 130575763
1-(3-bromo-2-pyridinyl)-3-[2-(3-fluoro-2-pyridinyl)ethyl]thiourea
CID 19704036
4-(3-bromo-2-pyridinyl)butan-2-ol
CID 130576069
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide
CID 64547195
3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide
CID 107517815
methanol;N-(2-phenylethyl)prop-2-enamide;prop-2-enamide
CID 175300118
1-(3-bromo-2-pyridinyl)-3-[2-(2-ethenylphenyl)ethyl]thiourea
CID 22923255
N-(2,6-dibromophenyl)prop-2-enamide
CID 107598601
2-amino-3-(3-bromo-2-pyridinyl)propanamide
CID 130575756
3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 107519142
(E)-3-(2-bromophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 115649635
N-[3-(prop-2-enoylamino)propyl]-6-pyridin-2-ylpyridine-3-carboxamide
CID 175378165

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-2-pyridinyl)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(3-bromo-2-pyridinyl)ethyl]prop-2-enamide (CID 166428557) is N-[2-(3-bromo-2-pyridinyl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(3-bromo-2-pyridinyl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(3-bromo-2-pyridinyl)ethyl]prop-2-enamide is C=CC(=O)NCCc1ncccc1Br.
What is the InChIKey of N-[2-(3-bromo-2-pyridinyl)ethyl]prop-2-enamide?
The InChIKey is YFHCMUPTRWVZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-2-10(14)13-7-5-9-8(11)4-3-6-12-9/h2-4,6H,1,5,7H2,(H,13,14).
What are the key properties of N-[2-(3-bromo-2-pyridinyl)ethyl]prop-2-enamide?
N-[2-(3-bromo-2-pyridinyl)ethyl]prop-2-enamide has a molecular weight of 255.11 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-2-pyridinyl)ethyl]prop-2-enamide is sourced from PubChem (CID 166428557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).