4-bromo-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide

C15H14BrN3O — CID 113009326

IUPAC4-bromo-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
SMILESC=CCNc1ccc(NC(=O)c2ccc(Br)cc2)cn1
InChIInChI=1S/C15H14BrN3O/c1-2-9-17-14-8-7-13(10-18-14)19-15(20)11-3-5-12(16)6-4-11/h2-8,10H,1,9H2,(H,17,18)(H,19,20)
InChIKeyLPQOWDQCBUEIKJ-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.69
Rot. Bonds5

About 4-bromo-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide

4-bromo-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide (PubChem CID 113009326) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 4-bromo-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
PubChem CID113009326
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name4-bromo-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
SMILESC=CCNc1ccc(NC(=O)c2ccc(Br)cc2)cn1
InChIInChI=1S/C15H14BrN3O/c1-2-9-17-14-8-7-13(10-18-14)19-15(20)11-3-5-12(16)6-4-11/h2-8,10H,1,9H2,(H,17,18)(H,19,20)
InChIKeyLPQOWDQCBUEIKJ-UHFFFAOYSA-N
XLogP3.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylsulfamoyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
CID 113009351
methyl 4-[[6-(prop-2-enylamino)pyridine-3-carbonyl]amino]benzoate
CID 109151459
3,5-dimethoxy-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
CID 113009330
4-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
CID 28902646
2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide
CID 113009307
4-bromo-N-[5-(butylamino)-2-pyridinyl]benzamide
CID 113023973
4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide
CID 113025721
N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155992
4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide
CID 113022865
2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide
CID 113009343
N-[6-(ethylamino)-3-pyridinyl]-4-methylbenzamide
CID 115268582
2-amino-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
CID 39178299

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide?
The IUPAC name of 4-bromo-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide (CID 113009326) is 4-bromo-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-bromo-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 4-bromo-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide is C=CCNc1ccc(NC(=O)c2ccc(Br)cc2)cn1.
What is the InChIKey of 4-bromo-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide?
The InChIKey is LPQOWDQCBUEIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-2-9-17-14-8-7-13(10-18-14)19-15(20)11-3-5-12(16)6-4-11/h2-8,10H,1,9H2,(H,17,18)(H,19,20).
What are the key properties of 4-bromo-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide?
4-bromo-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide has a molecular weight of 332.20 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113009326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).