2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide

C15H18N4O — CID 106591385

IUPAC2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
SMILESCc1cnc(CNC(=O)C(C)c2cccc(N)c2)cn1
InChIInChI=1S/C15H18N4O/c1-10-7-18-14(8-17-10)9-19-15(20)11(2)12-4-3-5-13(16)6-12/h3-8,11H,9,16H2,1-2H3,(H,19,20)
InChIKeyNEENKLZEPUWUIA-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.79
Rot. Bonds4

About 2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide

2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide (PubChem CID 106591385) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
PubChem CID106591385
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
SMILESCc1cnc(CNC(=O)C(C)c2cccc(N)c2)cn1
InChIInChI=1S/C15H18N4O/c1-10-7-18-14(8-17-10)9-19-15(20)11(2)12-4-3-5-13(16)6-12/h3-8,11H,9,16H2,1-2H3,(H,19,20)
InChIKeyNEENKLZEPUWUIA-UHFFFAOYSA-N
XLogP1.79
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106391286
2-(3-aminophenyl)-N-(1H-imidazol-2-ylmethyl)propanamide
CID 106591515
1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 62841564
2-(3-aminophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106368778
2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide
CID 106591203
2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 106591920
2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
CID 106591847
2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]propanamide
CID 106591266
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173
2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide
CID 106591805
2-(3-aminophenyl)-N-(2,3,3-trimethylbutyl)propanamide
CID 106591730

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide (CID 106591385) is 2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide is Cc1cnc(CNC(=O)C(C)c2cccc(N)c2)cn1.
What is the InChIKey of 2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
The InChIKey is NEENKLZEPUWUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-7-18-14(8-17-10)9-19-15(20)11(2)12-4-3-5-13(16)6-12/h3-8,11H,9,16H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide has a molecular weight of 270.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide is sourced from PubChem (CID 106591385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).