N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide

C14H12BrClN2O — CID 81226921

IUPACN-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2ccc(C)c(Br)c2)cn1
InChIInChI=1S/C14H12BrClN2O/c1-8-3-4-10(6-12(8)15)18-14(19)11-7-17-9(2)5-13(11)16/h3-7H,1-2H3,(H,18,19)
InChIKeyJXFGRKVTQFDLFU-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.37
Rot. Bonds2

About N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide

N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide (PubChem CID 81226921) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide
PubChem CID81226921
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC NameN-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2ccc(C)c(Br)c2)cn1
InChIInChI=1S/C14H12BrClN2O/c1-8-3-4-10(6-12(8)15)18-14(19)11-7-17-9(2)5-13(11)16/h3-7H,1-2H3,(H,18,19)
InChIKeyJXFGRKVTQFDLFU-UHFFFAOYSA-N
XLogP4.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226857
4-chloro-N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81225292
4-chloro-N-(3-chloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81225961
4-chloro-N-(4-chloro-3-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81226487
N-(3-acetamidophenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81228962
N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide
CID 103893877
4-chloro-N-(3-fluoro-5-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81232937
4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 106509693
4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide
CID 81225795
N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide
CID 107096907
N-(3,4-dimethylphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236774
4-chloro-6-methyl-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 81225722

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide (CID 81226921) is N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)Nc2ccc(C)c(Br)c2)cn1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide?
The InChIKey is JXFGRKVTQFDLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-3-4-10(6-12(8)15)18-14(19)11-7-17-9(2)5-13(11)16/h3-7H,1-2H3,(H,18,19).
What are the key properties of N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide?
N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide has a molecular weight of 339.62 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81226921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).