5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide

C13H16N4OS — CID 107375175

IUPAC5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)NC(C)Cc2ccsc2)cn1
InChIInChI=1S/C13H16N4OS/c1-9(5-10-3-4-19-8-10)17-13(18)11-6-16-12(14-2)7-15-11/h3-4,6-9H,5H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyBNEUGRGOSKENGW-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.94
Rot. Bonds5

About 5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide

5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide (PubChem CID 107375175) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide
PubChem CID107375175
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)NC(C)Cc2ccsc2)cn1
InChIInChI=1S/C13H16N4OS/c1-9(5-10-3-4-19-8-10)17-13(18)11-6-16-12(14-2)7-15-11/h3-4,6-9H,5H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyBNEUGRGOSKENGW-UHFFFAOYSA-N
XLogP1.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 61151193
5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 63748666
4-amino-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 62186482
5-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyrazine-2-carboxamide
CID 107376850
5-(methylamino)-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide
CID 107375133
6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 103889839
3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 105385704
2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 61150801
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923012
2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 61475052
5-hydrazinyl-N-(1-thiophen-3-ylethyl)pyrazine-2-carboxamide
CID 107378186
5-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)pyrazine-2-carboxamide
CID 107375348

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide (CID 107375175) is 5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide is CNc1cnc(C(=O)NC(C)Cc2ccsc2)cn1.
What is the InChIKey of 5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide?
The InChIKey is BNEUGRGOSKENGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9(5-10-3-4-19-8-10)17-13(18)11-6-16-12(14-2)7-15-11/h3-4,6-9H,5H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide?
5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 107375175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).