(2E)-N-[(6-methylpyrazin-2-yl)methyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;molecular hydrogen

C14H19N3O — CID 145241674

IUPAC(2E)-N-[(6-methylpyrazin-2-yl)methyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;molecular hydrogen
SMILESC=C/C=C(\C=C/C)C(=O)NCc1cncc(C)n1.[H][H]
InChIInChI=1S/C14H17N3O.H2/c1-4-6-12(7-5-2)14(18)16-10-13-9-15-8-11(3)17-13;/h4-9H,1,10H2,2-3H3,(H,16,18);1H/b7-5-,12-6+;
InChIKeyDSAAUYPCYPVOEB-AOMYCQKGSA-N
MW245.33 g/mol
LogP2.34
Rot. Bonds5

About (2E)-N-[(6-methylpyrazin-2-yl)methyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;molecular hydrogen

(2E)-N-[(6-methylpyrazin-2-yl)methyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;molecular hydrogen (PubChem CID 145241674) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (2E)-N-[(6-methylpyrazin-2-yl)methyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;molecular hydrogen.

Molecular Properties

Compound Name(2E)-N-[(6-methylpyrazin-2-yl)methyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;molecular hydrogen
PubChem CID145241674
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(2E)-N-[(6-methylpyrazin-2-yl)methyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;molecular hydrogen
SMILESC=C/C=C(\C=C/C)C(=O)NCc1cncc(C)n1.[H][H]
InChIInChI=1S/C14H17N3O.H2/c1-4-6-12(7-5-2)14(18)16-10-13-9-15-8-11(3)17-13;/h4-9H,1,10H2,2-3H3,(H,16,18);1H/b7-5-,12-6+;
InChIKeyDSAAUYPCYPVOEB-AOMYCQKGSA-N
XLogP2.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E)-N-[(6-methylpyrazin-2-yl)methyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[(6-methylpyrazin-2-yl)methyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;molecular hydrogen?
The IUPAC name of (2E)-N-[(6-methylpyrazin-2-yl)methyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;molecular hydrogen (CID 145241674) is (2E)-N-[(6-methylpyrazin-2-yl)methyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;molecular hydrogen.
What is the SMILES notation for (2E)-N-[(6-methylpyrazin-2-yl)methyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;molecular hydrogen?
The canonical SMILES for (2E)-N-[(6-methylpyrazin-2-yl)methyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;molecular hydrogen is C=C/C=C(\C=C/C)C(=O)NCc1cncc(C)n1.[H][H].
What is the InChIKey of (2E)-N-[(6-methylpyrazin-2-yl)methyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;molecular hydrogen?
The InChIKey is DSAAUYPCYPVOEB-AOMYCQKGSA-N. The full InChI is InChI=1S/C14H17N3O.H2/c1-4-6-12(7-5-2)14(18)16-10-13-9-15-8-11(3)17-13;/h4-9H,1,10H2,2-3H3,(H,16,18);1H/b7-5-,12-6+;.
What are the key properties of (2E)-N-[(6-methylpyrazin-2-yl)methyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;molecular hydrogen?
(2E)-N-[(6-methylpyrazin-2-yl)methyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;molecular hydrogen has a molecular weight of 245.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[(6-methylpyrazin-2-yl)methyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;molecular hydrogen is sourced from PubChem (CID 145241674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).