3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide

C15H17N3O — CID 110483781

IUPAC3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide
SMILESCc1ccc(CCC(=O)NCc2cnccn2)cc1
InChIInChI=1S/C15H17N3O/c1-12-2-4-13(5-3-12)6-7-15(19)18-11-14-10-16-8-9-17-14/h2-5,8-10H,6-7,11H2,1H3,(H,18,19)
InChIKeyIGYGLESOGRRVOZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.03
Rot. Bonds5

About 3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide

3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide (PubChem CID 110483781) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide
PubChem CID110483781
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide
SMILESCc1ccc(CCC(=O)NCc2cnccn2)cc1
InChIInChI=1S/C15H17N3O/c1-12-2-4-13(5-3-12)6-7-15(19)18-11-14-10-16-8-9-17-14/h2-5,8-10H,6-7,11H2,1H3,(H,18,19)
InChIKeyIGYGLESOGRRVOZ-UHFFFAOYSA-N
XLogP2.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 110738979
2-[2-(4-methylphenyl)ethyl]pyrazine
CID 141390825
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)propanamide
CID 110660397
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
2-[[3-(4-methylphenyl)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380847
N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 106845485
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 99953800
N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide
CID 60739656
N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide
CID 47038622
N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide
CID 83032441
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-(4-methylphenyl)propanamide
CID 110357243

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide (CID 110483781) is 3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide is Cc1ccc(CCC(=O)NCc2cnccn2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide?
The InChIKey is IGYGLESOGRRVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12-2-4-13(5-3-12)6-7-15(19)18-11-14-10-16-8-9-17-14/h2-5,8-10H,6-7,11H2,1H3,(H,18,19).
What are the key properties of 3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide?
3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide has a molecular weight of 255.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide is sourced from PubChem (CID 110483781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).