5-methyl-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide

C16H19N3O — CID 4078603

IUPAC5-methyl-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC(C)CCc2ccccc2)cn1
InChIInChI=1S/C16H19N3O/c1-12(8-9-14-6-4-3-5-7-14)19-16(20)15-11-17-13(2)10-18-15/h3-7,10-12H,8-9H2,1-2H3,(H,19,20)
InChIKeyNYYMQNIMFJGBTA-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.54
Rot. Bonds5

About 5-methyl-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide

5-methyl-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide (PubChem CID 4078603) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-methyl-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide
PubChem CID4078603
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-methyl-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC(C)CCc2ccccc2)cn1
InChIInChI=1S/C16H19N3O/c1-12(8-9-14-6-4-3-5-7-14)19-16(20)15-11-17-13(2)10-18-15/h3-7,10-12H,8-9H2,1-2H3,(H,19,20)
InChIKeyNYYMQNIMFJGBTA-UHFFFAOYSA-N
XLogP2.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide (CID 4078603) is 5-methyl-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide is Cc1cnc(C(=O)NC(C)CCc2ccccc2)cn1.
What is the InChIKey of 5-methyl-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide?
The InChIKey is NYYMQNIMFJGBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(8-9-14-6-4-3-5-7-14)19-16(20)15-11-17-13(2)10-18-15/h3-7,10-12H,8-9H2,1-2H3,(H,19,20).
What are the key properties of 5-methyl-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide?
5-methyl-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 4078603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).