3-(4-cyanophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide

C19H16N4OS — CID 131704068

IUPAC3-(4-cyanophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide
SMILESN#Cc1ccc(CCC(=O)NCc2nccnc2-c2cccs2)cc1
InChIInChI=1S/C19H16N4OS/c20-12-15-5-3-14(4-6-15)7-8-18(24)23-13-16-19(22-10-9-21-16)17-2-1-11-25-17/h1-6,9-11H,7-8,13H2,(H,23,24)
InChIKeyIWPSUCNBUBBADH-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.33
Rot. Bonds6

About 3-(4-cyanophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide

3-(4-cyanophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide (PubChem CID 131704068) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide
PubChem CID131704068
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name3-(4-cyanophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide
SMILESN#Cc1ccc(CCC(=O)NCc2nccnc2-c2cccs2)cc1
InChIInChI=1S/C19H16N4OS/c20-12-15-5-3-14(4-6-15)7-8-18(24)23-13-16-19(22-10-9-21-16)17-2-1-11-25-17/h1-6,9-11H,7-8,13H2,(H,23,24)
InChIKeyIWPSUCNBUBBADH-UHFFFAOYSA-N
XLogP3.33
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylsulfanylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 91625780
2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide
CID 122163097
N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 110483851
1-(2,6-difluorophenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea
CID 122163125
3-(3-fluoro-4-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 121166183
4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide
CID 119106291
3-(4-cyanophenyl)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]propanamide
CID 91630459
3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide
CID 121198786
3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 121166173
N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]-3-(trifluoromethoxy)benzamide
CID 122163086
1-(2-methoxyphenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea
CID 122163123
N-[2-[3-(4-cyanophenyl)propanoylamino]ethyl]-2-methylpropanamide
CID 33121519

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide (CID 131704068) is 3-(4-cyanophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide is N#Cc1ccc(CCC(=O)NCc2nccnc2-c2cccs2)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide?
The InChIKey is IWPSUCNBUBBADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c20-12-15-5-3-14(4-6-15)7-8-18(24)23-13-16-19(22-10-9-21-16)17-2-1-11-25-17/h1-6,9-11H,7-8,13H2,(H,23,24).
What are the key properties of 3-(4-cyanophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide?
3-(4-cyanophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide has a molecular weight of 348.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide is sourced from PubChem (CID 131704068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).