2-(5-cyanopyrazin-2-yl)-N-[4-(3-phenylpropyl)phenyl]acetamide

C22H20N4O — CID 159232950

IUPAC2-(5-cyanopyrazin-2-yl)-N-[4-(3-phenylpropyl)phenyl]acetamide
SMILESN#Cc1cnc(CC(=O)Nc2ccc(CCCc3ccccc3)cc2)cn1
InChIInChI=1S/C22H20N4O/c23-14-21-16-24-20(15-25-21)13-22(27)26-19-11-9-18(10-12-19)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-12,15-16H,4,7-8,13H2,(H,26,27)
InChIKeyKTCZPZUYNHMSQS-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.70
Rot. Bonds7

About 2-(5-cyanopyrazin-2-yl)-N-[4-(3-phenylpropyl)phenyl]acetamide

2-(5-cyanopyrazin-2-yl)-N-[4-(3-phenylpropyl)phenyl]acetamide (PubChem CID 159232950) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(5-cyanopyrazin-2-yl)-N-[4-(3-phenylpropyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-cyanopyrazin-2-yl)-N-[4-(3-phenylpropyl)phenyl]acetamide
PubChem CID159232950
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name2-(5-cyanopyrazin-2-yl)-N-[4-(3-phenylpropyl)phenyl]acetamide
SMILESN#Cc1cnc(CC(=O)Nc2ccc(CCCc3ccccc3)cc2)cn1
InChIInChI=1S/C22H20N4O/c23-14-21-16-24-20(15-25-21)13-22(27)26-19-11-9-18(10-12-19)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-12,15-16H,4,7-8,13H2,(H,26,27)
InChIKeyKTCZPZUYNHMSQS-UHFFFAOYSA-N
XLogP3.70
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]phenyl]-2-(5-cyanopyrazin-2-yl)acetamide
CID 148953969
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130169
N-[3-chloro-4-[4-(2,4-difluorophenyl)butoxy]phenyl]-2-(5-cyanopyrazin-2-yl)acetamide
CID 161183240
3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride
CID 119315336
N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide
CID 114310172
2-(4-cyanophenyl)-N-phenylacetamide
CID 12672919
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane
CID 145019649
2-(5-amino-2-pyridinyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 107337812
3-phenylpropyl 5-(4-cyanoanilino)-5-oxopentanoate
CID 4923695
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyanopyrazin-2-yl)-N-[4-(3-phenylpropyl)phenyl]acetamide?
The IUPAC name of 2-(5-cyanopyrazin-2-yl)-N-[4-(3-phenylpropyl)phenyl]acetamide (CID 159232950) is 2-(5-cyanopyrazin-2-yl)-N-[4-(3-phenylpropyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-cyanopyrazin-2-yl)-N-[4-(3-phenylpropyl)phenyl]acetamide?
The canonical SMILES for 2-(5-cyanopyrazin-2-yl)-N-[4-(3-phenylpropyl)phenyl]acetamide is N#Cc1cnc(CC(=O)Nc2ccc(CCCc3ccccc3)cc2)cn1.
What is the InChIKey of 2-(5-cyanopyrazin-2-yl)-N-[4-(3-phenylpropyl)phenyl]acetamide?
The InChIKey is KTCZPZUYNHMSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c23-14-21-16-24-20(15-25-21)13-22(27)26-19-11-9-18(10-12-19)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-12,15-16H,4,7-8,13H2,(H,26,27).
What are the key properties of 2-(5-cyanopyrazin-2-yl)-N-[4-(3-phenylpropyl)phenyl]acetamide?
2-(5-cyanopyrazin-2-yl)-N-[4-(3-phenylpropyl)phenyl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyanopyrazin-2-yl)-N-[4-(3-phenylpropyl)phenyl]acetamide is sourced from PubChem (CID 159232950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).