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

C18H29N3O — CID 143797743

IUPACethane;2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide
SMILESCC.CC.CC1C=C(CC(=O)NCc2cnccn2)C=CC1
InChIInChI=1S/C14H17N3O.2C2H6/c1-11-3-2-4-12(7-11)8-14(18)17-10-13-9-15-5-6-16-13;2*1-2/h2,4-7,9,11H,3,8,10H2,1H3,(H,17,18);2*1-2H3
InChIKeyYQBAWWUSDKZJHD-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.06
Rot. Bonds4

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

ethane;2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide (PubChem CID 143797743) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is ethane;2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide.

Molecular Properties

Compound Nameethane;2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide
PubChem CID143797743
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Nameethane;2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide
SMILESCC.CC.CC1C=C(CC(=O)NCc2cnccn2)C=CC1
InChIInChI=1S/C14H17N3O.2C2H6/c1-11-3-2-4-12(7-11)8-14(18)17-10-13-9-15-5-6-16-13;2*1-2/h2,4-7,9,11H,3,8,10H2,1H3,(H,17,18);2*1-2H3
InChIKeyYQBAWWUSDKZJHD-UHFFFAOYSA-N
XLogP4.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide?
The IUPAC name of ethane;2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide (CID 143797743) is ethane;2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide.
What is the SMILES notation for ethane;2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide?
The canonical SMILES for ethane;2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide is CC.CC.CC1C=C(CC(=O)NCc2cnccn2)C=CC1.
What is the InChIKey of ethane;2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide?
The InChIKey is YQBAWWUSDKZJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O.2C2H6/c1-11-3-2-4-12(7-11)8-14(18)17-10-13-9-15-5-6-16-13;2*1-2/h2,4-7,9,11H,3,8,10H2,1H3,(H,17,18);2*1-2H3.
What are the key properties of ethane;2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide?
ethane;2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide has a molecular weight of 303.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide is sourced from PubChem (CID 143797743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).