(3E,5Z)-N-(5-cyclohexa-1,3-dien-1-yl-3-methyl-1,2-dihydropyrazin-2-yl)-3-methylhepta-3,5-dienamide

C19H25N3O — CID 143000946

IUPAC(3E,5Z)-N-(5-cyclohexa-1,3-dien-1-yl-3-methyl-1,2-dihydropyrazin-2-yl)-3-methylhepta-3,5-dienamide
SMILESC/C=C\C=C(/C)CC(=O)NC1NC=C(C2=CC=CCC2)N=C1C
InChIInChI=1S/C19H25N3O/c1-4-5-9-14(2)12-18(23)22-19-15(3)21-17(13-20-19)16-10-7-6-8-11-16/h4-7,9-10,13,19-20H,8,11-12H2,1-3H3,(H,22,23)/b5-4-,14-9+
InChIKeyQKJOMEOJYNEMHA-NAJRDQDTSA-N
MW311.43 g/mol
LogP3.52
Rot. Bonds5

About (3E,5Z)-N-(5-cyclohexa-1,3-dien-1-yl-3-methyl-1,2-dihydropyrazin-2-yl)-3-methylhepta-3,5-dienamide

(3E,5Z)-N-(5-cyclohexa-1,3-dien-1-yl-3-methyl-1,2-dihydropyrazin-2-yl)-3-methylhepta-3,5-dienamide (PubChem CID 143000946) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (3E,5Z)-N-(5-cyclohexa-1,3-dien-1-yl-3-methyl-1,2-dihydropyrazin-2-yl)-3-methylhepta-3,5-dienamide.

Molecular Properties

Compound Name(3E,5Z)-N-(5-cyclohexa-1,3-dien-1-yl-3-methyl-1,2-dihydropyrazin-2-yl)-3-methylhepta-3,5-dienamide
PubChem CID143000946
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(3E,5Z)-N-(5-cyclohexa-1,3-dien-1-yl-3-methyl-1,2-dihydropyrazin-2-yl)-3-methylhepta-3,5-dienamide
SMILESC/C=C\C=C(/C)CC(=O)NC1NC=C(C2=CC=CCC2)N=C1C
InChIInChI=1S/C19H25N3O/c1-4-5-9-14(2)12-18(23)22-19-15(3)21-17(13-20-19)16-10-7-6-8-11-16/h4-7,9-10,13,19-20H,8,11-12H2,1-3H3,(H,22,23)/b5-4-,14-9+
InChIKeyQKJOMEOJYNEMHA-NAJRDQDTSA-N
XLogP3.52
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-(5-cyclohexa-1,3-dien-1-yl-3-methyl-1,2-dihydropyrazin-2-yl)-3-methylhepta-3,5-dienamide?
The IUPAC name of (3E,5Z)-N-(5-cyclohexa-1,3-dien-1-yl-3-methyl-1,2-dihydropyrazin-2-yl)-3-methylhepta-3,5-dienamide (CID 143000946) is (3E,5Z)-N-(5-cyclohexa-1,3-dien-1-yl-3-methyl-1,2-dihydropyrazin-2-yl)-3-methylhepta-3,5-dienamide.
What is the SMILES notation for (3E,5Z)-N-(5-cyclohexa-1,3-dien-1-yl-3-methyl-1,2-dihydropyrazin-2-yl)-3-methylhepta-3,5-dienamide?
The canonical SMILES for (3E,5Z)-N-(5-cyclohexa-1,3-dien-1-yl-3-methyl-1,2-dihydropyrazin-2-yl)-3-methylhepta-3,5-dienamide is C/C=C\C=C(/C)CC(=O)NC1NC=C(C2=CC=CCC2)N=C1C.
What is the InChIKey of (3E,5Z)-N-(5-cyclohexa-1,3-dien-1-yl-3-methyl-1,2-dihydropyrazin-2-yl)-3-methylhepta-3,5-dienamide?
The InChIKey is QKJOMEOJYNEMHA-NAJRDQDTSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-5-9-14(2)12-18(23)22-19-15(3)21-17(13-20-19)16-10-7-6-8-11-16/h4-7,9-10,13,19-20H,8,11-12H2,1-3H3,(H,22,23)/b5-4-,14-9+.
What are the key properties of (3E,5Z)-N-(5-cyclohexa-1,3-dien-1-yl-3-methyl-1,2-dihydropyrazin-2-yl)-3-methylhepta-3,5-dienamide?
(3E,5Z)-N-(5-cyclohexa-1,3-dien-1-yl-3-methyl-1,2-dihydropyrazin-2-yl)-3-methylhepta-3,5-dienamide has a molecular weight of 311.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-(5-cyclohexa-1,3-dien-1-yl-3-methyl-1,2-dihydropyrazin-2-yl)-3-methylhepta-3,5-dienamide is sourced from PubChem (CID 143000946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).