N-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide

C27H27N3O2 — CID 143000142

IUPACN-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide
SMILESC=C/C=C(\C=C/C)c1cnc(NC(=O)Cc2ccc(C)cc2)c(C(O)c2ccccc2)n1
InChIInChI=1S/C27H27N3O2/c1-4-9-21(10-5-2)23-18-28-27(25(29-23)26(32)22-11-7-6-8-12-22)30-24(31)17-20-15-13-19(3)14-16-20/h4-16,18,26,32H,1,17H2,2-3H3,(H,28,30,31)/b10-5-,21-9+
InChIKeyJCNCQFCVIFHPCL-CRPUMRKJSA-N
MW425.53 g/mol
LogP5.19
Rot. Bonds8

About N-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide

N-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide (PubChem CID 143000142) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide
PubChem CID143000142
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC NameN-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide
SMILESC=C/C=C(\C=C/C)c1cnc(NC(=O)Cc2ccc(C)cc2)c(C(O)c2ccccc2)n1
InChIInChI=1S/C27H27N3O2/c1-4-9-21(10-5-2)23-18-28-27(25(29-23)26(32)22-11-7-6-8-12-22)30-24(31)17-20-15-13-19(3)14-16-20/h4-16,18,26,32H,1,17H2,2-3H3,(H,28,30,31)/b10-5-,21-9+
InChIKeyJCNCQFCVIFHPCL-CRPUMRKJSA-N
XLogP5.19
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143001080
N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 123858984
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine
CID 143178055
N-[5-(2-ethylphenyl)-3-[hydroxy(phenyl)methyl]-6-methylpyrazin-2-yl]-2-(4-iodophenyl)acetamide
CID 70830042
ethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide
CID 143000025
2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 159222419
2-(4-methylphenyl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 90935995
N-(3-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 103892864
2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041210
N-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide
CID 113228993
(E)-1-(4-methylphenyl)pent-3-en-2-one
CID 21252003
N-(2-hydroxy-1-phenylethyl)-2-(4-methylphenyl)acetamide
CID 63184520

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide (CID 143000142) is N-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide is C=C/C=C(\C=C/C)c1cnc(NC(=O)Cc2ccc(C)cc2)c(C(O)c2ccccc2)n1.
What is the InChIKey of N-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is JCNCQFCVIFHPCL-CRPUMRKJSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-4-9-21(10-5-2)23-18-28-27(25(29-23)26(32)22-11-7-6-8-12-22)30-24(31)17-20-15-13-19(3)14-16-20/h4-16,18,26,32H,1,17H2,2-3H3,(H,28,30,31)/b10-5-,21-9+.
What are the key properties of N-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide?
N-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 425.53 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 143000142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).