(E)-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]hept-3-enamide

C14H21N3O — CID 163676831

IUPAC(E)-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]hept-3-enamide
SMILESCCC/C(C)=C/CC(=O)NCc1cnc(C)cn1
InChIInChI=1S/C14H21N3O/c1-4-5-11(2)6-7-14(18)17-10-13-9-15-12(3)8-16-13/h6,8-9H,4-5,7,10H2,1-3H3,(H,17,18)/b11-6+
InChIKeyJHJVRNUINWALRY-IZZDOVSWSA-N
MW247.34 g/mol
LogP2.54
Rot. Bonds6

About (E)-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]hept-3-enamide

(E)-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]hept-3-enamide (PubChem CID 163676831) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (E)-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]hept-3-enamide.

Molecular Properties

Compound Name(E)-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]hept-3-enamide
PubChem CID163676831
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(E)-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]hept-3-enamide
SMILESCCC/C(C)=C/CC(=O)NCc1cnc(C)cn1
InChIInChI=1S/C14H21N3O/c1-4-5-11(2)6-7-14(18)17-10-13-9-15-12(3)8-16-13/h6,8-9H,4-5,7,10H2,1-3H3,(H,17,18)/b11-6+
InChIKeyJHJVRNUINWALRY-IZZDOVSWSA-N
XLogP2.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]hept-3-enamide?
The IUPAC name of (E)-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]hept-3-enamide (CID 163676831) is (E)-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]hept-3-enamide.
What is the SMILES notation for (E)-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]hept-3-enamide?
The canonical SMILES for (E)-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]hept-3-enamide is CCC/C(C)=C/CC(=O)NCc1cnc(C)cn1.
What is the InChIKey of (E)-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]hept-3-enamide?
The InChIKey is JHJVRNUINWALRY-IZZDOVSWSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-5-11(2)6-7-14(18)17-10-13-9-15-12(3)8-16-13/h6,8-9H,4-5,7,10H2,1-3H3,(H,17,18)/b11-6+.
What are the key properties of (E)-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]hept-3-enamide?
(E)-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]hept-3-enamide has a molecular weight of 247.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]hept-3-enamide is sourced from PubChem (CID 163676831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).