3-ethenyl-N-ethyl-6-[4-[4-[(E)-3-methylpent-3-enyl]phenyl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide

C31H34N2O — CID 145464910

IUPAC3-ethenyl-N-ethyl-6-[4-[4-[(E)-3-methylpent-3-enyl]phenyl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide
SMILESC=Cc1c(C(=O)NCC)cc(-c2ccc(-c3ccc(CC/C(C)=C/C)cc3)cc2)nc1/C=C\C
InChIInChI=1S/C31H34N2O/c1-6-10-29-27(8-3)28(31(34)32-9-4)21-30(33-29)26-19-17-25(18-20-26)24-15-13-23(14-16-24)12-11-22(5)7-2/h6-8,10,13-21H,3,9,11-12H2,1-2,4-5H3,(H,32,34)/b10-6-,22-7+
InChIKeyDYWUJVNCPBPFQU-CDUQWISNSA-N
MW450.63 g/mol
LogP7.74
Rot. Bonds9

About 3-ethenyl-N-ethyl-6-[4-[4-[(E)-3-methylpent-3-enyl]phenyl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide

3-ethenyl-N-ethyl-6-[4-[4-[(E)-3-methylpent-3-enyl]phenyl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide (PubChem CID 145464910) has the molecular formula C31H34N2O and a molecular weight of 450.63 g/mol. Its IUPAC name is 3-ethenyl-N-ethyl-6-[4-[4-[(E)-3-methylpent-3-enyl]phenyl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-ethenyl-N-ethyl-6-[4-[4-[(E)-3-methylpent-3-enyl]phenyl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide
PubChem CID145464910
Molecular FormulaC31H34N2O
Molecular Weight450.63 g/mol
Exact Mass450.27
IUPAC Name3-ethenyl-N-ethyl-6-[4-[4-[(E)-3-methylpent-3-enyl]phenyl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide
SMILESC=Cc1c(C(=O)NCC)cc(-c2ccc(-c3ccc(CC/C(C)=C/C)cc3)cc2)nc1/C=C\C
InChIInChI=1S/C31H34N2O/c1-6-10-29-27(8-3)28(31(34)32-9-4)21-30(33-29)26-19-17-25(18-20-26)24-15-13-23(14-16-24)12-11-22(5)7-2/h6-8,10,13-21H,3,9,11-12H2,1-2,4-5H3,(H,32,34)/b10-6-,22-7+
InChIKeyDYWUJVNCPBPFQU-CDUQWISNSA-N
XLogP7.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-6-[4-[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide
CID 145465283
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
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
N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1261381
4-[4-[4,5-bis(ethenyl)-3-(2-phenylethyl)-6-[(Z)-prop-1-enyl]-2-pyridinyl]phenyl]-N-ethylaniline
CID 145464866
N-ethyl-4-prop-2-enylbenzamide
CID 137333139
5-ethenyl-N-ethyl-2-methylbenzamide
CID 154815188
5-ethenyl-3-methoxy-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylpyridine
CID 145465049
methyl 2-(4-propylphenyl)quinoline-4-carboxylate
CID 841962
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
CID 55382237

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N-ethyl-6-[4-[4-[(E)-3-methylpent-3-enyl]phenyl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide?
The IUPAC name of 3-ethenyl-N-ethyl-6-[4-[4-[(E)-3-methylpent-3-enyl]phenyl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide (CID 145464910) is 3-ethenyl-N-ethyl-6-[4-[4-[(E)-3-methylpent-3-enyl]phenyl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-ethenyl-N-ethyl-6-[4-[4-[(E)-3-methylpent-3-enyl]phenyl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide?
The canonical SMILES for 3-ethenyl-N-ethyl-6-[4-[4-[(E)-3-methylpent-3-enyl]phenyl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide is C=Cc1c(C(=O)NCC)cc(-c2ccc(-c3ccc(CC/C(C)=C/C)cc3)cc2)nc1/C=C\C.
What is the InChIKey of 3-ethenyl-N-ethyl-6-[4-[4-[(E)-3-methylpent-3-enyl]phenyl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide?
The InChIKey is DYWUJVNCPBPFQU-CDUQWISNSA-N. The full InChI is InChI=1S/C31H34N2O/c1-6-10-29-27(8-3)28(31(34)32-9-4)21-30(33-29)26-19-17-25(18-20-26)24-15-13-23(14-16-24)12-11-22(5)7-2/h6-8,10,13-21H,3,9,11-12H2,1-2,4-5H3,(H,32,34)/b10-6-,22-7+.
What are the key properties of 3-ethenyl-N-ethyl-6-[4-[4-[(E)-3-methylpent-3-enyl]phenyl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide?
3-ethenyl-N-ethyl-6-[4-[4-[(E)-3-methylpent-3-enyl]phenyl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide has a molecular weight of 450.63 g/mol, XLogP of 7.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N-ethyl-6-[4-[4-[(E)-3-methylpent-3-enyl]phenyl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide is sourced from PubChem (CID 145464910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).