N-methyl-4-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]benzamide

C14H16N4OS — CID 75509675

IUPACN-methyl-4-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNc2cncc(SC)n2)cc1
InChIInChI=1S/C14H16N4OS/c1-15-14(19)11-5-3-10(4-6-11)7-17-12-8-16-9-13(18-12)20-2/h3-6,8-9H,7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyLPJTWHGIMDDCNL-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.17
Rot. Bonds5

About N-methyl-4-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]benzamide

N-methyl-4-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]benzamide (PubChem CID 75509675) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-methyl-4-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]benzamide
PubChem CID75509675
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-methyl-4-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNc2cncc(SC)n2)cc1
InChIInChI=1S/C14H16N4OS/c1-15-14(19)11-5-3-10(4-6-11)7-17-12-8-16-9-13(18-12)20-2/h3-6,8-9H,7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyLPJTWHGIMDDCNL-UHFFFAOYSA-N
XLogP2.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]phenyl]methyl]pyridin-2-one
CID 86796687
N-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide
CID 54888919
N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide
CID 60961432
4-[(2-fluoroanilino)methyl]-N-methylbenzamide
CID 54888541
N-methyl-4-(phosphanylmethyl)benzamide
CID 143273405
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide
CID 153377467
N-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide
CID 133290911
N-methyl-4-[(4-propylanilino)methyl]benzamide
CID 60980914
3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide
CID 115645741
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide
CID 157391991

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]benzamide (CID 75509675) is N-methyl-4-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]benzamide is CNC(=O)c1ccc(CNc2cncc(SC)n2)cc1.
What is the InChIKey of N-methyl-4-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]benzamide?
The InChIKey is LPJTWHGIMDDCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-15-14(19)11-5-3-10(4-6-11)7-17-12-8-16-9-13(18-12)20-2/h3-6,8-9H,7H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of N-methyl-4-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]benzamide?
N-methyl-4-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]benzamide has a molecular weight of 288.38 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]benzamide is sourced from PubChem (CID 75509675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).