(2E)-5,5-bis(4-methoxyphenyl)-N-[(2R)-5-(6-propan-2-yl-3-pyridinyl)pentan-2-yl]penta-2,4-dienamide;(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-(5-methyl-3-pyridinyl)pentan-2-yl]-5-pyridin-3-ylpenta-2,4-dienamide

C60H69N5O5 — CID 88622760

IUPAC(2E)-5,5-bis(4-methoxyphenyl)-N-[(2R)-5-(6-propan-2-yl-3-pyridinyl)pentan-2-yl]penta-2,4-dienamide;(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-(5-methyl-3-pyridinyl)pentan-2-yl]-5-pyridin-3-ylpenta-2,4-dienamide
SMILESCOc1ccc(/C(=C\C=C\C(=O)N[C@H](C)CCCc2cncc(C)c2)c2cccnc2)cc1.COc1ccc(C(=C/C=C/C(=O)N[C@H](C)CCCc2ccc(C(C)C)nc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H38N2O3.C28H31N3O2/c1-23(2)31-21-12-25(22-33-31)9-6-8-24(3)34-32(35)11-7-10-30(26-13-17-28(36-4)18-14-26)27-15-19-29(37-5)20-16-27;1-21-17-23(19-30-18-21)8-4-7-22(2)31-28(32)11-5-10-27(25-9-6-16-29-20-25)24-12-14-26(33-3)15-13-24/h7,10-24H,6,8-9H2,1-5H3,(H,34,35);5-6,9-20,22H,4,7-8H2,1-3H3,(H,31,32)/b11-7+;11-5+,27-10+/t24-;22-/m11/s1
InChIKeyMMOQKKJIYITQKL-HDHHFXRDSA-N
MW940.24 g/mol
LogP12.05
Rot. Bonds22

About (2E)-5,5-bis(4-methoxyphenyl)-N-[(2R)-5-(6-propan-2-yl-3-pyridinyl)pentan-2-yl]penta-2,4-dienamide;(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-(5-methyl-3-pyridinyl)pentan-2-yl]-5-pyridin-3-ylpenta-2,4-dienamide

(2E)-5,5-bis(4-methoxyphenyl)-N-[(2R)-5-(6-propan-2-yl-3-pyridinyl)pentan-2-yl]penta-2,4-dienamide;(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-(5-methyl-3-pyridinyl)pentan-2-yl]-5-pyridin-3-ylpenta-2,4-dienamide (PubChem CID 88622760) has the molecular formula C60H69N5O5 and a molecular weight of 940.24 g/mol. Its IUPAC name is (2E)-5,5-bis(4-methoxyphenyl)-N-[(2R)-5-(6-propan-2-yl-3-pyridinyl)pentan-2-yl]penta-2,4-dienamide;(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-(5-methyl-3-pyridinyl)pentan-2-yl]-5-pyridin-3-ylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-5,5-bis(4-methoxyphenyl)-N-[(2R)-5-(6-propan-2-yl-3-pyridinyl)pentan-2-yl]penta-2,4-dienamide;(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-(5-methyl-3-pyridinyl)pentan-2-yl]-5-pyridin-3-ylpenta-2,4-dienamide
PubChem CID88622760
Molecular FormulaC60H69N5O5
Molecular Weight940.24 g/mol
Exact Mass939.53
IUPAC Name(2E)-5,5-bis(4-methoxyphenyl)-N-[(2R)-5-(6-propan-2-yl-3-pyridinyl)pentan-2-yl]penta-2,4-dienamide;(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-(5-methyl-3-pyridinyl)pentan-2-yl]-5-pyridin-3-ylpenta-2,4-dienamide
SMILESCOc1ccc(/C(=C\C=C\C(=O)N[C@H](C)CCCc2cncc(C)c2)c2cccnc2)cc1.COc1ccc(C(=C/C=C/C(=O)N[C@H](C)CCCc2ccc(C(C)C)nc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H38N2O3.C28H31N3O2/c1-23(2)31-21-12-25(22-33-31)9-6-8-24(3)34-32(35)11-7-10-30(26-13-17-28(36-4)18-14-26)27-15-19-29(37-5)20-16-27;1-21-17-23(19-30-18-21)8-4-7-22(2)31-28(32)11-5-10-27(25-9-6-16-29-20-25)24-12-14-26(33-3)15-13-24/h7,10-24H,6,8-9H2,1-5H3,(H,34,35);5-6,9-20,22H,4,7-8H2,1-3H3,(H,31,32)/b11-7+;11-5+,27-10+/t24-;22-/m11/s1
InChIKeyMMOQKKJIYITQKL-HDHHFXRDSA-N
XLogP12.05
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.24
LogP ≤ 512.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2E)-5,5-bis(4-methoxyphenyl)-N-[(2R)-5-(6-propan-2-yl-3-pyridinyl)pentan-2-yl]penta-2,4-dienamide;(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-(5-methyl-3-pyridinyl)pentan-2-yl]-5-pyridin-3-ylpenta-2,4-dienamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E)-5,5-bis(4-methoxyphenyl)-N-[(2R)-5-(6-propan-2-yl-3-pyridinyl)pentan-2-yl]penta-2,4-dienamide;(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-(5-methyl-3-pyridinyl)pentan-2-yl]-5-pyridin-3-ylpenta-2,4-dienamide?
The IUPAC name of (2E)-5,5-bis(4-methoxyphenyl)-N-[(2R)-5-(6-propan-2-yl-3-pyridinyl)pentan-2-yl]penta-2,4-dienamide;(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-(5-methyl-3-pyridinyl)pentan-2-yl]-5-pyridin-3-ylpenta-2,4-dienamide (CID 88622760) is (2E)-5,5-bis(4-methoxyphenyl)-N-[(2R)-5-(6-propan-2-yl-3-pyridinyl)pentan-2-yl]penta-2,4-dienamide;(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-(5-methyl-3-pyridinyl)pentan-2-yl]-5-pyridin-3-ylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-5,5-bis(4-methoxyphenyl)-N-[(2R)-5-(6-propan-2-yl-3-pyridinyl)pentan-2-yl]penta-2,4-dienamide;(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-(5-methyl-3-pyridinyl)pentan-2-yl]-5-pyridin-3-ylpenta-2,4-dienamide?
The canonical SMILES for (2E)-5,5-bis(4-methoxyphenyl)-N-[(2R)-5-(6-propan-2-yl-3-pyridinyl)pentan-2-yl]penta-2,4-dienamide;(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-(5-methyl-3-pyridinyl)pentan-2-yl]-5-pyridin-3-ylpenta-2,4-dienamide is COc1ccc(/C(=C\C=C\C(=O)N[C@H](C)CCCc2cncc(C)c2)c2cccnc2)cc1.COc1ccc(C(=C/C=C/C(=O)N[C@H](C)CCCc2ccc(C(C)C)nc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2E)-5,5-bis(4-methoxyphenyl)-N-[(2R)-5-(6-propan-2-yl-3-pyridinyl)pentan-2-yl]penta-2,4-dienamide;(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-(5-methyl-3-pyridinyl)pentan-2-yl]-5-pyridin-3-ylpenta-2,4-dienamide?
The InChIKey is MMOQKKJIYITQKL-HDHHFXRDSA-N. The full InChI is InChI=1S/C32H38N2O3.C28H31N3O2/c1-23(2)31-21-12-25(22-33-31)9-6-8-24(3)34-32(35)11-7-10-30(26-13-17-28(36-4)18-14-26)27-15-19-29(37-5)20-16-27;1-21-17-23(19-30-18-21)8-4-7-22(2)31-28(32)11-5-10-27(25-9-6-16-29-20-25)24-12-14-26(33-3)15-13-24/h7,10-24H,6,8-9H2,1-5H3,(H,34,35);5-6,9-20,22H,4,7-8H2,1-3H3,(H,31,32)/b11-7+;11-5+,27-10+/t24-;22-/m11/s1.
What are the key properties of (2E)-5,5-bis(4-methoxyphenyl)-N-[(2R)-5-(6-propan-2-yl-3-pyridinyl)pentan-2-yl]penta-2,4-dienamide;(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-(5-methyl-3-pyridinyl)pentan-2-yl]-5-pyridin-3-ylpenta-2,4-dienamide?
(2E)-5,5-bis(4-methoxyphenyl)-N-[(2R)-5-(6-propan-2-yl-3-pyridinyl)pentan-2-yl]penta-2,4-dienamide;(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-(5-methyl-3-pyridinyl)pentan-2-yl]-5-pyridin-3-ylpenta-2,4-dienamide has a molecular weight of 940.24 g/mol, XLogP of 12.05, 22 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5,5-bis(4-methoxyphenyl)-N-[(2R)-5-(6-propan-2-yl-3-pyridinyl)pentan-2-yl]penta-2,4-dienamide;(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-(5-methyl-3-pyridinyl)pentan-2-yl]-5-pyridin-3-ylpenta-2,4-dienamide is sourced from PubChem (CID 88622760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).