N'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide

C16H18N4O2 — CID 50983286

IUPACN'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)N(C)Cc2cnccn2)cc1
InChIInChI=1S/C16H18N4O2/c1-12-3-5-13(6-4-12)19-15(21)9-16(22)20(2)11-14-10-17-7-8-18-14/h3-8,10H,9,11H2,1-2H3,(H,19,21)
InChIKeyMEYMZTUSKGDXOX-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.77
Rot. Bonds5

About N'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide

N'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide (PubChem CID 50983286) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide
PubChem CID50983286
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)N(C)Cc2cnccn2)cc1
InChIInChI=1S/C16H18N4O2/c1-12-3-5-13(6-4-12)19-15(21)9-16(22)20(2)11-14-10-17-7-8-18-14/h3-8,10H,9,11H2,1-2H3,(H,19,21)
InChIKeyMEYMZTUSKGDXOX-UHFFFAOYSA-N
XLogP1.77
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 9494044
N-(4-cyanophenyl)-4-[methyl(pyrazin-2-ylmethyl)amino]butanamide
CID 91838383
ethyl N-[4-(pyrazin-2-ylmethylamino)phenyl]carbamate
CID 62762350
3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide
CID 110483781
3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 56792360
N'-[(2R)-1-hydroxybutan-2-yl]-N-(4-methylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide
CID 95120471
2-(2-bromophenoxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 84594812
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 72926210
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
4-(azepan-1-yl)-N-methyl-4-oxo-N-(pyrazin-2-ylmethyl)butanamide
CID 86286116
2-[[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 9037765

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide?
The IUPAC name of N'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide (CID 50983286) is N'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide.
What is the SMILES notation for N'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide?
The canonical SMILES for N'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide is Cc1ccc(NC(=O)CC(=O)N(C)Cc2cnccn2)cc1.
What is the InChIKey of N'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide?
The InChIKey is MEYMZTUSKGDXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12-3-5-13(6-4-12)19-15(21)9-16(22)20(2)11-14-10-17-7-8-18-14/h3-8,10H,9,11H2,1-2H3,(H,19,21).
What are the key properties of N'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide?
N'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide has a molecular weight of 298.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide is sourced from PubChem (CID 50983286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).