N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)butanamide

C16H19N3O — CID 77090126

IUPACN-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)butanamide
SMILESCN(Cc1cnccn1)C(=O)CCCc1ccccc1
InChIInChI=1S/C16H19N3O/c1-19(13-15-12-17-10-11-18-15)16(20)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9,13H2,1H3
InChIKeyWGUUBUJSNXFRQZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.46
Rot. Bonds6

About N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)butanamide

N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)butanamide (PubChem CID 77090126) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)butanamide
PubChem CID77090126
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)butanamide
SMILESCN(Cc1cnccn1)C(=O)CCCc1ccccc1
InChIInChI=1S/C16H19N3O/c1-19(13-15-12-17-10-11-18-15)16(20)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9,13H2,1H3
InChIKeyWGUUBUJSNXFRQZ-UHFFFAOYSA-N
XLogP2.46
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)butanamide?
The IUPAC name of N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)butanamide (CID 77090126) is N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)butanamide.
What is the SMILES notation for N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)butanamide?
The canonical SMILES for N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)butanamide is CN(Cc1cnccn1)C(=O)CCCc1ccccc1.
What is the InChIKey of N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)butanamide?
The InChIKey is WGUUBUJSNXFRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(13-15-12-17-10-11-18-15)16(20)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9,13H2,1H3.
What are the key properties of N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)butanamide?
N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)butanamide has a molecular weight of 269.35 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)butanamide is sourced from PubChem (CID 77090126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).