3-[methyl(pyrazin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)propanamide

C14H18N4OS — CID 91841122

IUPAC3-[methyl(pyrazin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)propanamide
SMILESCN(CCC(=O)NCc1cccs1)Cc1cnccn1
InChIInChI=1S/C14H18N4OS/c1-18(11-12-9-15-5-6-16-12)7-4-14(19)17-10-13-3-2-8-20-13/h2-3,5-6,8-9H,4,7,10-11H2,1H3,(H,17,19)
InChIKeySYAZMVNZKZNWCZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.68
Rot. Bonds7

About 3-[methyl(pyrazin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)propanamide

3-[methyl(pyrazin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 91841122) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-[methyl(pyrazin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[methyl(pyrazin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID91841122
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name3-[methyl(pyrazin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)propanamide
SMILESCN(CCC(=O)NCc1cccs1)Cc1cnccn1
InChIInChI=1S/C14H18N4OS/c1-18(11-12-9-15-5-6-16-12)7-4-14(19)17-10-13-3-2-8-20-13/h2-3,5-6,8-9H,4,7,10-11H2,1H3,(H,17,19)
InChIKeySYAZMVNZKZNWCZ-UHFFFAOYSA-N
XLogP1.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide
CID 51362734
2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 120900523
2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 135115780
2-[(6-bromo-3-pyridinyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 166216279
2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
CID 53299092
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
3-acetamido-N-(thiophen-2-ylmethyl)propanamide
CID 47099194
3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 131909908
2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 35011271
3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide
CID 47028254
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide
CID 47026748
1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125825

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyrazin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[methyl(pyrazin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)propanamide (CID 91841122) is 3-[methyl(pyrazin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[methyl(pyrazin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[methyl(pyrazin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)propanamide is CN(CCC(=O)NCc1cccs1)Cc1cnccn1.
What is the InChIKey of 3-[methyl(pyrazin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is SYAZMVNZKZNWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-18(11-12-9-15-5-6-16-12)7-4-14(19)17-10-13-3-2-8-20-13/h2-3,5-6,8-9H,4,7,10-11H2,1H3,(H,17,19).
What are the key properties of 3-[methyl(pyrazin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)propanamide?
3-[methyl(pyrazin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 290.39 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pyrazin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 91841122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).