N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide

C12H9BrClN3O — CID 79734317

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(Cl)ccn2)ncc1Br
InChIInChI=1S/C12H9BrClN3O/c1-7-4-11(16-6-9(7)13)17-12(18)10-5-8(14)2-3-15-10/h2-6H,1H3,(H,16,17,18)
InChIKeySOQRDFNVPIFPIW-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.45
Rot. Bonds2

About N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide

N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide (PubChem CID 79734317) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide
PubChem CID79734317
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(Cl)ccn2)ncc1Br
InChIInChI=1S/C12H9BrClN3O/c1-7-4-11(16-6-9(7)13)17-12(18)10-5-8(14)2-3-15-10/h2-6H,1H3,(H,16,17,18)
InChIKeySOQRDFNVPIFPIW-UHFFFAOYSA-N
XLogP3.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide
CID 43111935
N-(5-bromo-4-methyl-2-pyridinyl)-6-chloropyridazine-3-carboxamide
CID 79733511
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 81232858
N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 79729954
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide
CID 113397189
4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide
CID 81294858
N-(5-bromo-4-methyl-2-pyridinyl)-5-chloro-2-hydrazinylbenzamide
CID 79729244
N-(5-bromo-4-methyl-2-pyridinyl)-6-(methylamino)pyridine-2-carboxamide
CID 79730155
N-(5-bromo-4-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide
CID 79729705
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-5-methylbenzamide
CID 81323954
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide
CID 107096916
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylbenzamide
CID 81472094

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide (CID 79734317) is N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide is Cc1cc(NC(=O)c2cc(Cl)ccn2)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide?
The InChIKey is SOQRDFNVPIFPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c1-7-4-11(16-6-9(7)13)17-12(18)10-5-8(14)2-3-15-10/h2-6H,1H3,(H,16,17,18).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide?
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide has a molecular weight of 326.58 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide is sourced from PubChem (CID 79734317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).