(2Z)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide

C26H26N2O — CID 14347364

IUPAC(2Z)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide
SMILESO=C(/C=C\C=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1
InChIInChI=1S/C26H26N2O/c29-26(28-20-8-7-11-22-12-10-19-27-21-22)18-9-17-25(23-13-3-1-4-14-23)24-15-5-2-6-16-24/h1-6,9-10,12-19,21H,7-8,11,20H2,(H,28,29)/b18-9-
InChIKeyCTVPNMZQMXKFTB-NVMNQCDNSA-N
MW382.51 g/mol
LogP5.21
Rot. Bonds9

About (2Z)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide

(2Z)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide (PubChem CID 14347364) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is (2Z)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide
PubChem CID14347364
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name(2Z)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide
SMILESO=C(/C=C\C=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1
InChIInChI=1S/C26H26N2O/c29-26(28-20-8-7-11-22-12-10-19-27-21-22)18-9-17-25(23-13-3-1-4-14-23)24-15-5-2-6-16-24/h1-6,9-10,12-19,21H,7-8,11,20H2,(H,28,29)/b18-9-
InChIKeyCTVPNMZQMXKFTB-NVMNQCDNSA-N
XLogP5.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-5-(3-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide
CID 88605091
5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54386374
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
(E)-3-(2,2-diphenylcyclopropyl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide
CID 14347611
(2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 22840630
methyl N-(4-pyridin-3-ylbutyl)carbamate
CID 110661300
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis(3,4,5-trimethoxyphenyl)penta-2,4-dienamide
CID 54410484
3-methyl-N-(4-pyridin-3-ylbutyl)butanamide
CID 110661269
N-[(1R)-1-cyclopentyl-4-pyridin-3-ylbutyl]-5,5-bis(4-methoxyphenyl)penta-2,4-dienamide
CID 57019933
1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055074
5-(4-methoxynaphthalen-2-yl)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54167167

Frequently Asked Questions

What is the IUPAC name of (2Z)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide?
The IUPAC name of (2Z)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide (CID 14347364) is (2Z)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide.
What is the SMILES notation for (2Z)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide?
The canonical SMILES for (2Z)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide is O=C(/C=C\C=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1.
What is the InChIKey of (2Z)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide?
The InChIKey is CTVPNMZQMXKFTB-NVMNQCDNSA-N. The full InChI is InChI=1S/C26H26N2O/c29-26(28-20-8-7-11-22-12-10-19-27-21-22)18-9-17-25(23-13-3-1-4-14-23)24-15-5-2-6-16-24/h1-6,9-10,12-19,21H,7-8,11,20H2,(H,28,29)/b18-9-.
What are the key properties of (2Z)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide?
(2Z)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide has a molecular weight of 382.51 g/mol, XLogP of 5.21, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide is sourced from PubChem (CID 14347364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).