N-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide

C20H19N3O3S — CID 170178372

IUPACN-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2cncc(-c3cc(NC(=O)C4CC4)cs3)n2)cc1OC
InChIInChI=1S/C20H19N3O3S/c1-25-17-6-5-13(7-18(17)26-2)15-9-21-10-16(23-15)19-8-14(11-27-19)22-20(24)12-3-4-12/h5-12H,3-4H2,1-2H3,(H,22,24)
InChIKeyRIYVHTYIJJZILT-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.24
Rot. Bonds6

About N-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide

N-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide (PubChem CID 170178372) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide
PubChem CID170178372
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2cncc(-c3cc(NC(=O)C4CC4)cs3)n2)cc1OC
InChIInChI=1S/C20H19N3O3S/c1-25-17-6-5-13(7-18(17)26-2)15-9-21-10-16(23-15)19-8-14(11-27-19)22-20(24)12-3-4-12/h5-12H,3-4H2,1-2H3,(H,22,24)
InChIKeyRIYVHTYIJJZILT-UHFFFAOYSA-N
XLogP4.24
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclobutanecarboxamide
CID 170178381
3-[4-(cyclobutanecarbonylamino)thiophen-2-yl]-5-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 170178111
2-(4-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyrazine
CID 168878472
N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide
CID 170178382
5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-amine;hydrochloride
CID 168878438
2-cyclopropyl-N-[5-[6-[4-[2-(dimethylamino)ethyl-methylsulfamoyl]-3-methoxyphenyl]pyrazin-2-yl]thiophen-3-yl]acetamide
CID 170178181
2-cyclopentyl-N-[5-[6-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide
CID 170178531
4-[6-[4-[(2-cyclobutylacetyl)amino]thiophen-2-yl]pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]-2-methoxy-N-methylbenzamide
CID 170178074
2-cyclopentyl-N-[5-[6-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide
CID 170178044
2-methoxy-4-[6-[4-(pentanoylamino)thiophen-2-yl]pyrazin-2-yl]-N-(2H-tetrazol-5-yl)benzamide
CID 170177984
N-[3-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173855
4-[6-[4-[[2-(1-aminocyclobutyl)acetyl]amino]thiophen-2-yl]pyrazin-2-yl]-2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 170178175

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide (CID 170178372) is N-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide is COc1ccc(-c2cncc(-c3cc(NC(=O)C4CC4)cs3)n2)cc1OC.
What is the InChIKey of N-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide?
The InChIKey is RIYVHTYIJJZILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-25-17-6-5-13(7-18(17)26-2)15-9-21-10-16(23-15)19-8-14(11-27-19)22-20(24)12-3-4-12/h5-12H,3-4H2,1-2H3,(H,22,24).
What are the key properties of N-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide?
N-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide has a molecular weight of 381.46 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170178372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).