ethane;4-hexan-3-yl-N-methyl-3-oxopyrazine-2-carboxamide

C14H25N3O2 — CID 143596540

IUPACethane;4-hexan-3-yl-N-methyl-3-oxopyrazine-2-carboxamide
SMILESCC.CCCC(CC)n1ccnc(C(=O)NC)c1=O
InChIInChI=1S/C12H19N3O2.C2H6/c1-4-6-9(5-2)15-8-7-14-10(12(15)17)11(16)13-3;1-2/h7-9H,4-6H2,1-3H3,(H,13,16);1-2H3
InChIKeyLBHDSMKUJCFZKK-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.38
Rot. Bonds5

About ethane;4-hexan-3-yl-N-methyl-3-oxopyrazine-2-carboxamide

ethane;4-hexan-3-yl-N-methyl-3-oxopyrazine-2-carboxamide (PubChem CID 143596540) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethane;4-hexan-3-yl-N-methyl-3-oxopyrazine-2-carboxamide.

Molecular Properties

Compound Nameethane;4-hexan-3-yl-N-methyl-3-oxopyrazine-2-carboxamide
PubChem CID143596540
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Nameethane;4-hexan-3-yl-N-methyl-3-oxopyrazine-2-carboxamide
SMILESCC.CCCC(CC)n1ccnc(C(=O)NC)c1=O
InChIInChI=1S/C12H19N3O2.C2H6/c1-4-6-9(5-2)15-8-7-14-10(12(15)17)11(16)13-3;1-2/h7-9H,4-6H2,1-3H3,(H,13,16);1-2H3
InChIKeyLBHDSMKUJCFZKK-UHFFFAOYSA-N
XLogP2.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;4-hexan-3-yl-N-methyl-3-oxopyrazine-2-carboxamide?
The IUPAC name of ethane;4-hexan-3-yl-N-methyl-3-oxopyrazine-2-carboxamide (CID 143596540) is ethane;4-hexan-3-yl-N-methyl-3-oxopyrazine-2-carboxamide.
What is the SMILES notation for ethane;4-hexan-3-yl-N-methyl-3-oxopyrazine-2-carboxamide?
The canonical SMILES for ethane;4-hexan-3-yl-N-methyl-3-oxopyrazine-2-carboxamide is CC.CCCC(CC)n1ccnc(C(=O)NC)c1=O.
What is the InChIKey of ethane;4-hexan-3-yl-N-methyl-3-oxopyrazine-2-carboxamide?
The InChIKey is LBHDSMKUJCFZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.C2H6/c1-4-6-9(5-2)15-8-7-14-10(12(15)17)11(16)13-3;1-2/h7-9H,4-6H2,1-3H3,(H,13,16);1-2H3.
What are the key properties of ethane;4-hexan-3-yl-N-methyl-3-oxopyrazine-2-carboxamide?
ethane;4-hexan-3-yl-N-methyl-3-oxopyrazine-2-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hexan-3-yl-N-methyl-3-oxopyrazine-2-carboxamide is sourced from PubChem (CID 143596540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).