6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide

C15H17BrN2O2 — CID 66463920

IUPAC6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(CN(C(=O)c2ccc(Br)nc2)C(C)C)o1
InChIInChI=1S/C15H17BrN2O2/c1-10(2)18(9-13-6-4-11(3)20-13)15(19)12-5-7-14(16)17-8-12/h4-8,10H,9H2,1-3H3
InChIKeyPDDHLMLRIXYURZ-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.80
Rot. Bonds4

About 6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide

6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 66463920) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID66463920
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(CN(C(=O)c2ccc(Br)nc2)C(C)C)o1
InChIInChI=1S/C15H17BrN2O2/c1-10(2)18(9-13-6-4-11(3)20-13)15(19)12-5-7-14(16)17-8-12/h4-8,10H,9H2,1-3H3
InChIKeyPDDHLMLRIXYURZ-UHFFFAOYSA-N
XLogP3.80
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide
CID 66463467
5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 63859047
6-bromo-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 66465068
2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 64593208
2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide
CID 107074573
6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide
CID 115497521
2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 60947083
N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 55819128
6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79484236
5-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 87047293
4-chloro-3-(diethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide
CID 55819127
N-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide
CID 55856871

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide (CID 66463920) is 6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide is Cc1ccc(CN(C(=O)c2ccc(Br)nc2)C(C)C)o1.
What is the InChIKey of 6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is PDDHLMLRIXYURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10(2)18(9-13-6-4-11(3)20-13)15(19)12-5-7-14(16)17-8-12/h4-8,10H,9H2,1-3H3.
What are the key properties of 6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide?
6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 337.22 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 66463920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).