N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide

C14H13BrN2O — CID 47299315

IUPACN-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(Br)c2)c(C)n1
InChIInChI=1S/C14H13BrN2O/c1-9-6-7-13(10(2)16-9)14(18)17-12-5-3-4-11(15)8-12/h3-8H,1-2H3,(H,17,18)
InChIKeyMACQJOQIWAQPEV-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.71
Rot. Bonds2

About N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide

N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 47299315) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID47299315
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC NameN-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(Br)c2)c(C)n1
InChIInChI=1S/C14H13BrN2O/c1-9-6-7-13(10(2)16-9)14(18)17-12-5-3-4-11(15)8-12/h3-8H,1-2H3,(H,17,18)
InChIKeyMACQJOQIWAQPEV-UHFFFAOYSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
CID 56851222
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 76950265
N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648375
N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067
N-(5-bromo-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47308279
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830959
N-(3-bromophenyl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 112707523
2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 87012122
N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113434
N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110862863
4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
N-[(S)-(3-bromophenyl)-cyanomethyl]-2,6-dimethylpyridine-3-carboxamide
CID 124596753

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide (CID 47299315) is N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cccc(Br)c2)c(C)n1.
What is the InChIKey of N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is MACQJOQIWAQPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-9-6-7-13(10(2)16-9)14(18)17-12-5-3-4-11(15)8-12/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide?
N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 305.18 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 47299315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).