N-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide

C13H12BrN3O — CID 79048580

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cn1
InChIInChI=1S/C13H12BrN3O/c1-8-3-4-10(7-15-8)13(18)17-12-6-5-11(14)9(2)16-12/h3-7H,1-2H3,(H,16,17,18)
InChIKeyGPTDFECIKUUQOM-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.11
Rot. Bonds2

About N-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide

N-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide (PubChem CID 79048580) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide
PubChem CID79048580
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cn1
InChIInChI=1S/C13H12BrN3O/c1-8-3-4-10(7-15-8)13(18)17-12-6-5-11(14)9(2)16-12/h3-7H,1-2H3,(H,16,17,18)
InChIKeyGPTDFECIKUUQOM-UHFFFAOYSA-N
XLogP3.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
N-(5-bromo-6-methyl-2-pyridinyl)-5,6-dichloropyridine-3-carboxamide
CID 79048562
N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide
CID 4509260
N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybenzamide
CID 925722
N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 79048356
N-(5-bromo-6-methyl-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81245835
3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-5-methylbenzamide
CID 113460607
N-(5-bromo-6-methyl-2-pyridinyl)thiophene-3-carboxamide
CID 79048508
N-(5-bromo-6-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 79049145
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide
CID 71987347
N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxybenzamide
CID 79049112
2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 114326756

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide (CID 79048580) is N-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cn1.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide?
The InChIKey is GPTDFECIKUUQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-8-3-4-10(7-15-8)13(18)17-12-6-5-11(14)9(2)16-12/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide?
N-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 79048580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).