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

C24H30N2O2 — CID 14347407

IUPAC(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hepta-2,4-dienamide
SMILESCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1
InChIInChI=1S/C24H30N2O2/c1-4-21(22-13-15-23(28-3)16-14-22)11-6-12-24(27)26-19(2)8-5-9-20-10-7-17-25-18-20/h6-7,10-19H,4-5,8-9H2,1-3H3,(H,26,27)/b12-6+,21-11+/t19-/m1/s1
InChIKeyGMPSNLDXAQIXBD-PGAGZYBASA-N
MW378.52 g/mol
LogP4.97
Rot. Bonds10

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

(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hepta-2,4-dienamide (PubChem CID 14347407) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hepta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hepta-2,4-dienamide
PubChem CID14347407
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hepta-2,4-dienamide
SMILESCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1
InChIInChI=1S/C24H30N2O2/c1-4-21(22-13-15-23(28-3)16-14-22)11-6-12-24(27)26-19(2)8-5-9-20-10-7-17-25-18-20/h6-7,10-19H,4-5,8-9H2,1-3H3,(H,26,27)/b12-6+,21-11+/t19-/m1/s1
InChIKeyGMPSNLDXAQIXBD-PGAGZYBASA-N
XLogP4.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.97
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]hepta-2,4-dienamide?
The IUPAC name of (2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hepta-2,4-dienamide (CID 14347407) is (2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hepta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hepta-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hepta-2,4-dienamide is CC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1.
What is the InChIKey of (2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hepta-2,4-dienamide?
The InChIKey is GMPSNLDXAQIXBD-PGAGZYBASA-N. The full InChI is InChI=1S/C24H30N2O2/c1-4-21(22-13-15-23(28-3)16-14-22)11-6-12-24(27)26-19(2)8-5-9-20-10-7-17-25-18-20/h6-7,10-19H,4-5,8-9H2,1-3H3,(H,26,27)/b12-6+,21-11+/t19-/m1/s1.
What are the key properties of (2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hepta-2,4-dienamide?
(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]hepta-2,4-dienamide has a molecular weight of 378.52 g/mol, XLogP of 4.97, 10 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]hepta-2,4-dienamide is sourced from PubChem (CID 14347407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).