6-bromo-N-(5-chloro-2-propoxyphenyl)pyridine-3-carboxamide

C15H14BrClN2O2 — CID 66462301

IUPAC6-bromo-N-(5-chloro-2-propoxyphenyl)pyridine-3-carboxamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C15H14BrClN2O2/c1-2-7-21-13-5-4-11(17)8-12(13)19-15(20)10-3-6-14(16)18-9-10/h3-6,8-9H,2,7H2,1H3,(H,19,20)
InChIKeyUNNSEITZGZGCCK-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.54
Rot. Bonds5

About 6-bromo-N-(5-chloro-2-propoxyphenyl)pyridine-3-carboxamide

6-bromo-N-(5-chloro-2-propoxyphenyl)pyridine-3-carboxamide (PubChem CID 66462301) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 6-bromo-N-(5-chloro-2-propoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(5-chloro-2-propoxyphenyl)pyridine-3-carboxamide
PubChem CID66462301
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name6-bromo-N-(5-chloro-2-propoxyphenyl)pyridine-3-carboxamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C15H14BrClN2O2/c1-2-7-21-13-5-4-11(17)8-12(13)19-15(20)10-3-6-14(16)18-9-10/h3-6,8-9H,2,7H2,1H3,(H,19,20)
InChIKeyUNNSEITZGZGCCK-UHFFFAOYSA-N
XLogP4.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide
CID 63526145
N-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 87047072
methyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate
CID 66462125
3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide
CID 66462452
3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 61102222
2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoic acid
CID 66468610
N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 115496886
N-(5-chloro-2-methoxyphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62171907
2-bromo-N-(5-chloro-2-propoxyphenyl)butanamide
CID 62854326
N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide
CID 61062461
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-6-methoxypyridine-3-carboxamide
CID 134056596
3-bromo-4-propoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 17342734

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5-chloro-2-propoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(5-chloro-2-propoxyphenyl)pyridine-3-carboxamide (CID 66462301) is 6-bromo-N-(5-chloro-2-propoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(5-chloro-2-propoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(5-chloro-2-propoxyphenyl)pyridine-3-carboxamide is CCCOc1ccc(Cl)cc1NC(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(5-chloro-2-propoxyphenyl)pyridine-3-carboxamide?
The InChIKey is UNNSEITZGZGCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-2-7-21-13-5-4-11(17)8-12(13)19-15(20)10-3-6-14(16)18-9-10/h3-6,8-9H,2,7H2,1H3,(H,19,20).
What are the key properties of 6-bromo-N-(5-chloro-2-propoxyphenyl)pyridine-3-carboxamide?
6-bromo-N-(5-chloro-2-propoxyphenyl)pyridine-3-carboxamide has a molecular weight of 369.65 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(5-chloro-2-propoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 66462301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).