N-ethyl-N-methyl-5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyrazine-2-carbonitrile

C19H26N6O — CID 158579410

IUPACN-ethyl-N-methyl-5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyrazine-2-carbonitrile
SMILESCC(C)c1cnc(C#N)cn1.CCN(C)C(=O)c1cnc(C(C)C)cn1
InChIInChI=1S/C11H17N3O.C8H9N3/c1-5-14(4)11(15)10-7-12-9(6-13-10)8(2)3;1-6(2)8-5-10-7(3-9)4-11-8/h6-8H,5H2,1-4H3;4-6H,1-2H3
InChIKeyHTBHXVRSMXJFLJ-UHFFFAOYSA-N
MW354.46 g/mol
LogP3.16
Rot. Bonds4

About N-ethyl-N-methyl-5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyrazine-2-carbonitrile

N-ethyl-N-methyl-5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyrazine-2-carbonitrile (PubChem CID 158579410) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-ethyl-N-methyl-5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyrazine-2-carbonitrile.

Molecular Properties

Compound NameN-ethyl-N-methyl-5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyrazine-2-carbonitrile
PubChem CID158579410
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-ethyl-N-methyl-5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyrazine-2-carbonitrile
SMILESCC(C)c1cnc(C#N)cn1.CCN(C)C(=O)c1cnc(C(C)C)cn1
InChIInChI=1S/C11H17N3O.C8H9N3/c1-5-14(4)11(15)10-7-12-9(6-13-10)8(2)3;1-6(2)8-5-10-7(3-9)4-11-8/h6-8H,5H2,1-4H3;4-6H,1-2H3
InChIKeyHTBHXVRSMXJFLJ-UHFFFAOYSA-N
XLogP3.16
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyrazine-2-carbonitrile?
The IUPAC name of N-ethyl-N-methyl-5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyrazine-2-carbonitrile (CID 158579410) is N-ethyl-N-methyl-5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyrazine-2-carbonitrile.
What is the SMILES notation for N-ethyl-N-methyl-5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyrazine-2-carbonitrile?
The canonical SMILES for N-ethyl-N-methyl-5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyrazine-2-carbonitrile is CC(C)c1cnc(C#N)cn1.CCN(C)C(=O)c1cnc(C(C)C)cn1.
What is the InChIKey of N-ethyl-N-methyl-5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyrazine-2-carbonitrile?
The InChIKey is HTBHXVRSMXJFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.C8H9N3/c1-5-14(4)11(15)10-7-12-9(6-13-10)8(2)3;1-6(2)8-5-10-7(3-9)4-11-8/h6-8H,5H2,1-4H3;4-6H,1-2H3.
What are the key properties of N-ethyl-N-methyl-5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyrazine-2-carbonitrile?
N-ethyl-N-methyl-5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyrazine-2-carbonitrile has a molecular weight of 354.46 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyrazine-2-carbonitrile is sourced from PubChem (CID 158579410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).