N-(6-chloropyrazin-2-yl)-3-phenylpropanamide

C13H12ClN3O — CID 115599331

IUPACN-(6-chloropyrazin-2-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cncc(Cl)n1
InChIInChI=1S/C13H12ClN3O/c14-11-8-15-9-12(16-11)17-13(18)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,17,18)
InChIKeyAZEWBHWQTLVMJK-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.70
Rot. Bonds4

About N-(6-chloropyrazin-2-yl)-3-phenylpropanamide

N-(6-chloropyrazin-2-yl)-3-phenylpropanamide (PubChem CID 115599331) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-3-phenylpropanamide
PubChem CID115599331
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-(6-chloropyrazin-2-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cncc(Cl)n1
InChIInChI=1S/C13H12ClN3O/c14-11-8-15-9-12(16-11)17-13(18)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,17,18)
InChIKeyAZEWBHWQTLVMJK-UHFFFAOYSA-N
XLogP2.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-fluoro-2-pyridinyl)-3-phenylpropanamide
CID 104820903
N-(6-chloropyrazin-2-yl)-2-(3,4-dichlorophenyl)acetamide
CID 115599301
N-isoquinolin-6-yl-3-phenylpropanamide
CID 24999503
N-(6-chloropyrazin-2-yl)-2-methyl-2-phenylpropanamide
CID 104820021
N-[6-[6-(2-ethoxyphenoxy)-2-pyridinyl]pyrazin-2-yl]-3-phenylpropanamide
CID 162747313
3-phenyl-N-[5-(2-phenylethylamino)-2-pyridinyl]propanamide
CID 113028011
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 10969426
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19283649
N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide
CID 114299237
N-(6-anilino-3-pyridinyl)-3-phenylpropanamide
CID 113016040
N-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 84551045

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-3-phenylpropanamide (CID 115599331) is N-(6-chloropyrazin-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cncc(Cl)n1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-3-phenylpropanamide?
The InChIKey is AZEWBHWQTLVMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-11-8-15-9-12(16-11)17-13(18)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,17,18).
What are the key properties of N-(6-chloropyrazin-2-yl)-3-phenylpropanamide?
N-(6-chloropyrazin-2-yl)-3-phenylpropanamide has a molecular weight of 261.71 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 115599331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).