N-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide

C12H9BrClN3O — CID 83166694

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)c1cnccc1Cl
InChIInChI=1S/C12H9BrClN3O/c1-7-4-8(13)5-16-11(7)17-12(18)9-6-15-3-2-10(9)14/h2-6H,1H3,(H,16,17,18)
InChIKeyANWYZTUBYCRGDV-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.45
Rot. Bonds2

About N-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide

N-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide (PubChem CID 83166694) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
PubChem CID83166694
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)c1cnccc1Cl
InChIInChI=1S/C12H9BrClN3O/c1-7-4-8(13)5-16-11(7)17-12(18)9-6-15-3-2-10(9)14/h2-6H,1H3,(H,16,17,18)
InChIKeyANWYZTUBYCRGDV-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-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide
CID 106509648
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CID 81489265
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 81232858
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydroxybenzamide
CID 113266660
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-carboxamide
CID 83170019
N-(5-bromo-3-methyl-2-pyridinyl)-5-chloro-2-(ethylamino)benzamide
CID 83167924
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-(ethylamino)pyridine-3-carboxamide
CID 83169522
N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670589
3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide
CID 106547581
N-(3-bromo-5-methyl-2-pyridinyl)-3-chloropyridine-4-carboxamide
CID 75388632
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 103280869
N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 81485699

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide (CID 83166694) is N-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide is Cc1cc(Br)cnc1NC(=O)c1cnccc1Cl.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide?
The InChIKey is ANWYZTUBYCRGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c1-7-4-8(13)5-16-11(7)17-12(18)9-6-15-3-2-10(9)14/h2-6H,1H3,(H,16,17,18).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide?
N-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-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-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide is sourced from PubChem (CID 83166694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).