6-N-(3-bromo-4-methylphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide

C17H16BrN3O2 — CID 109094126

IUPAC6-N-(3-bromo-4-methylphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)Nc2ccc(C)c(Br)c2)n1
InChIInChI=1S/C17H16BrN3O2/c1-3-9-19-16(22)14-5-4-6-15(21-14)17(23)20-12-8-7-11(2)13(18)10-12/h3-8,10H,1,9H2,2H3,(H,19,22)(H,20,23)
InChIKeyIXPOEGOGCABEIM-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.32
Rot. Bonds5

About 6-N-(3-bromo-4-methylphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide

6-N-(3-bromo-4-methylphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide (PubChem CID 109094126) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is 6-N-(3-bromo-4-methylphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(3-bromo-4-methylphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
PubChem CID109094126
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name6-N-(3-bromo-4-methylphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)Nc2ccc(C)c(Br)c2)n1
InChIInChI=1S/C17H16BrN3O2/c1-3-9-19-16(22)14-5-4-6-15(21-14)17(23)20-12-8-7-11(2)13(18)10-12/h3-8,10H,1,9H2,2H3,(H,19,22)(H,20,23)
InChIKeyIXPOEGOGCABEIM-UHFFFAOYSA-N
XLogP3.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.32
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

6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094177
6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094193
6-N-(3-methoxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094128
2-N,6-N-bis(4-ethenylphenyl)pyridine-2,6-dicarboxamide
CID 156600187
6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 103874038
N-(3-bromo-4-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224270
6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094133
N-(3-bromo-4-methylphenyl)pyridazine-3-carboxamide
CID 110859766
N-(4-bromo-3-methylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62239926
6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094007
N'-(4-bromo-3-methylphenyl)-N-prop-2-enylpropanediamide
CID 108941323
6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-bromo-4-methylphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(3-bromo-4-methylphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide (CID 109094126) is 6-N-(3-bromo-4-methylphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(3-bromo-4-methylphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(3-bromo-4-methylphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide is C=CCNC(=O)c1cccc(C(=O)Nc2ccc(C)c(Br)c2)n1.
What is the InChIKey of 6-N-(3-bromo-4-methylphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
The InChIKey is IXPOEGOGCABEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-3-9-19-16(22)14-5-4-6-15(21-14)17(23)20-12-8-7-11(2)13(18)10-12/h3-8,10H,1,9H2,2H3,(H,19,22)(H,20,23).
What are the key properties of 6-N-(3-bromo-4-methylphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide?
6-N-(3-bromo-4-methylphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide has a molecular weight of 374.24 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-bromo-4-methylphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109094126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).