N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide

C16H19N3O2 — CID 122652252

IUPACN-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide
SMILESCOc1nc(C)cnc1CNC(=O)C(C)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-11-9-17-14(16(19-11)21-3)10-18-15(20)12(2)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3,(H,18,20)
InChIKeyDZTIPAGRYXDZSG-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.21
Rot. Bonds5

About N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide

N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide (PubChem CID 122652252) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide
PubChem CID122652252
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide
SMILESCOc1nc(C)cnc1CNC(=O)C(C)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-11-9-17-14(16(19-11)21-3)10-18-15(20)12(2)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3,(H,18,20)
InChIKeyDZTIPAGRYXDZSG-UHFFFAOYSA-N
XLogP2.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide?
The IUPAC name of N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide (CID 122652252) is N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide.
What is the SMILES notation for N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide?
The canonical SMILES for N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide is COc1nc(C)cnc1CNC(=O)C(C)c1ccccc1.
What is the InChIKey of N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide?
The InChIKey is DZTIPAGRYXDZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-9-17-14(16(19-11)21-3)10-18-15(20)12(2)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3,(H,18,20).
What are the key properties of N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide?
N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide has a molecular weight of 285.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide is sourced from PubChem (CID 122652252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).