(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hexa-2,4-dienamide

C23H28N2O2 — CID 14347405

IUPAC(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hexa-2,4-dienamide
SMILESCOc1ccc(/C(C)=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)cc1
InChIInChI=1S/C23H28N2O2/c1-18(21-12-14-22(27-3)15-13-21)7-4-11-23(26)25-19(2)8-5-9-20-10-6-16-24-17-20/h4,6-7,10-17,19H,5,8-9H2,1-3H3,(H,25,26)/b11-4+,18-7+/t19-/m1/s1
InChIKeyUCZLAFFRAYATTD-STCGNDQFSA-N
MW364.49 g/mol
LogP4.58
Rot. Bonds9

About (2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hexa-2,4-dienamide

(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hexa-2,4-dienamide (PubChem CID 14347405) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hexa-2,4-dienamide
PubChem CID14347405
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hexa-2,4-dienamide
SMILESCOc1ccc(/C(C)=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)cc1
InChIInChI=1S/C23H28N2O2/c1-18(21-12-14-22(27-3)15-13-21)7-4-11-23(26)25-19(2)8-5-9-20-10-6-16-24-17-20/h4,6-7,10-17,19H,5,8-9H2,1-3H3,(H,25,26)/b11-4+,18-7+/t19-/m1/s1
InChIKeyUCZLAFFRAYATTD-STCGNDQFSA-N
XLogP4.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hexa-2,4-dienamide (CID 14347405) is (2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hexa-2,4-dienamide is COc1ccc(/C(C)=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)cc1.
What is the InChIKey of (2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hexa-2,4-dienamide?
The InChIKey is UCZLAFFRAYATTD-STCGNDQFSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-18(21-12-14-22(27-3)15-13-21)7-4-11-23(26)25-19(2)8-5-9-20-10-6-16-24-17-20/h4,6-7,10-17,19H,5,8-9H2,1-3H3,(H,25,26)/b11-4+,18-7+/t19-/m1/s1.
What are the key properties of (2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hexa-2,4-dienamide?
(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hexa-2,4-dienamide has a molecular weight of 364.49 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hexa-2,4-dienamide is sourced from PubChem (CID 14347405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).