2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide

C14H17N3O — CID 143797744

IUPAC2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide
SMILESCC1C=C(CC(=O)NCc2cnccn2)C=CC1
InChIInChI=1S/C14H17N3O/c1-11-3-2-4-12(7-11)8-14(18)17-10-13-9-15-5-6-16-13/h2,4-7,9,11H,3,8,10H2,1H3,(H,17,18)
InChIKeyRHQUTSUOPFHTGU-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.01
Rot. Bonds4

About 2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide

2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide (PubChem CID 143797744) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide
PubChem CID143797744
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide
SMILESCC1C=C(CC(=O)NCc2cnccn2)C=CC1
InChIInChI=1S/C14H17N3O/c1-11-3-2-4-12(7-11)8-14(18)17-10-13-9-15-5-6-16-13/h2,4-7,9,11H,3,8,10H2,1H3,(H,17,18)
InChIKeyRHQUTSUOPFHTGU-UHFFFAOYSA-N
XLogP2.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide (CID 143797744) is 2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide is CC1C=C(CC(=O)NCc2cnccn2)C=CC1.
What is the InChIKey of 2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide?
The InChIKey is RHQUTSUOPFHTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-3-2-4-12(7-11)8-14(18)17-10-13-9-15-5-6-16-13/h2,4-7,9,11H,3,8,10H2,1H3,(H,17,18).
What are the key properties of 2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide?
2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide has a molecular weight of 243.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide is sourced from PubChem (CID 143797744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).