3-ethenyl-N-hydroxy-6-[4-[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide

C26H28N2O2 — CID 145465283

IUPAC3-ethenyl-N-hydroxy-6-[4-[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide
SMILESC=Cc1c(C(=O)NO)cc(-c2ccc(C(/C=C\C)=C/C=C(C)C)cc2)nc1/C=C\C
InChIInChI=1S/C26H28N2O2/c1-6-9-19(12-11-18(4)5)20-13-15-21(16-14-20)25-17-23(26(29)28-30)22(8-3)24(27-25)10-7-2/h6-17,30H,3H2,1-2,4-5H3,(H,28,29)/b9-6-,10-7-,19-12+
InChIKeyCYWRMEVAWWBQEA-VOTBALMGSA-N
MW400.52 g/mol
LogP6.47
Rot. Bonds7

About 3-ethenyl-N-hydroxy-6-[4-[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide

3-ethenyl-N-hydroxy-6-[4-[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide (PubChem CID 145465283) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 3-ethenyl-N-hydroxy-6-[4-[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-ethenyl-N-hydroxy-6-[4-[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide
PubChem CID145465283
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name3-ethenyl-N-hydroxy-6-[4-[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide
SMILESC=Cc1c(C(=O)NO)cc(-c2ccc(C(/C=C\C)=C/C=C(C)C)cc2)nc1/C=C\C
InChIInChI=1S/C26H28N2O2/c1-6-9-19(12-11-18(4)5)20-13-15-21(16-14-20)25-17-23(26(29)28-30)22(8-3)24(27-25)10-7-2/h6-17,30H,3H2,1-2,4-5H3,(H,28,29)/b9-6-,10-7-,19-12+
InChIKeyCYWRMEVAWWBQEA-VOTBALMGSA-N
XLogP6.47
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-ethenyl-N-hydroxy-6-[4-[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide 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

3-ethenyl-N-ethyl-6-[4-[4-[(E)-3-methylpent-3-enyl]phenyl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide
CID 145464910
ethane;1-[3-ethenyl-6-[4-(4-methylphenyl)phenyl]-2-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol;propan-1-ol
CID 145464947
3-ethenyl-N-hydroxy-2-[(Z)-prop-1-enyl]-6-[4-(4-propoxyphenyl)cyclohepta-1,3,5-trien-1-yl]pyridine-4-carboxamide
CID 145465485
2-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methylpyridine
CID 145357948
ethane;1-methyl-3-[(2E,4E)-7-methylocta-2,4,6-trien-4-yl]benzene
CID 143291684
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-propylbenzamide
CID 142960008
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
CID 142497192
1-[6-(4-chlorophenyl)-2,3-bis(ethenyl)-4-pyridinyl]-2-(ethylamino)butan-1-one
CID 144802732
ethane;1-[5-ethenyl-3-ethyl-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol
CID 145465169
1-[2-[4-[4-[(E)-but-2-en-2-yl]phenyl]phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;ethane;prop-1-en-2-ol
CID 145464888
N-hydroxy-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 167927329
1-[5-ethenyl-2-[4-(4-methoxyphenyl)phenyl]-3-methyl-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone
CID 145464930

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N-hydroxy-6-[4-[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide?
The IUPAC name of 3-ethenyl-N-hydroxy-6-[4-[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide (CID 145465283) is 3-ethenyl-N-hydroxy-6-[4-[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-ethenyl-N-hydroxy-6-[4-[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide?
The canonical SMILES for 3-ethenyl-N-hydroxy-6-[4-[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide is C=Cc1c(C(=O)NO)cc(-c2ccc(C(/C=C\C)=C/C=C(C)C)cc2)nc1/C=C\C.
What is the InChIKey of 3-ethenyl-N-hydroxy-6-[4-[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide?
The InChIKey is CYWRMEVAWWBQEA-VOTBALMGSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-6-9-19(12-11-18(4)5)20-13-15-21(16-14-20)25-17-23(26(29)28-30)22(8-3)24(27-25)10-7-2/h6-17,30H,3H2,1-2,4-5H3,(H,28,29)/b9-6-,10-7-,19-12+.
What are the key properties of 3-ethenyl-N-hydroxy-6-[4-[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide?
3-ethenyl-N-hydroxy-6-[4-[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 6.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N-hydroxy-6-[4-[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide is sourced from PubChem (CID 145465283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).