N-(5-chloropyrazin-2-yl)-3-methylbenzamide

C12H10ClN3O — CID 104964166

IUPACN-(5-chloropyrazin-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cnc(Cl)cn2)c1
InChIInChI=1S/C12H10ClN3O/c1-8-3-2-4-9(5-8)12(17)16-11-7-14-10(13)6-15-11/h2-7H,1H3,(H,15,16,17)
InChIKeyCEPSQUDAMJPAFH-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.69
Rot. Bonds2

About N-(5-chloropyrazin-2-yl)-3-methylbenzamide

N-(5-chloropyrazin-2-yl)-3-methylbenzamide (PubChem CID 104964166) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-3-methylbenzamide
PubChem CID104964166
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC NameN-(5-chloropyrazin-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cnc(Cl)cn2)c1
InChIInChI=1S/C12H10ClN3O/c1-8-3-2-4-9(5-8)12(17)16-11-7-14-10(13)6-15-11/h2-7H,1H3,(H,15,16,17)
InChIKeyCEPSQUDAMJPAFH-UHFFFAOYSA-N
XLogP2.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methylbenzamide
CID 107595708
N-(5-chloropyrazin-2-yl)-3-propoxybenzamide
CID 107595713
N-(5-chloropyrazin-2-yl)-3H-benzimidazole-5-carboxamide
CID 107595732
3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide
CID 104964163
N-(5-chloropyrazin-2-yl)-6-methylpyridine-2-carboxamide
CID 104964202
3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide
CID 107595855
3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031421
N-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide
CID 113022321
N-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide
CID 107595790
N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide
CID 104964161
N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 103730447
N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide
CID 107595847

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-3-methylbenzamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-3-methylbenzamide (CID 104964166) is N-(5-chloropyrazin-2-yl)-3-methylbenzamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-3-methylbenzamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cnc(Cl)cn2)c1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-3-methylbenzamide?
The InChIKey is CEPSQUDAMJPAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-8-3-2-4-9(5-8)12(17)16-11-7-14-10(13)6-15-11/h2-7H,1H3,(H,15,16,17).
What are the key properties of N-(5-chloropyrazin-2-yl)-3-methylbenzamide?
N-(5-chloropyrazin-2-yl)-3-methylbenzamide has a molecular weight of 247.69 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-3-methylbenzamide is sourced from PubChem (CID 104964166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).