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

C26H35N3O — CID 22840709

IUPAC(2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
SMILESCCCCCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1cccnc1
InChIInChI=1S/C26H35N3O/c1-3-4-5-6-14-24(25-16-10-19-28-21-25)15-8-17-26(30)29-22(2)11-7-12-23-13-9-18-27-20-23/h8-10,13,15-22H,3-7,11-12,14H2,1-2H3,(H,29,30)/b17-8+,24-15+/t22-/m1/s1
InChIKeyVDOVWGMUBLYAMD-ILJIAISRSA-N
MW405.59 g/mol
LogP5.91
Rot. Bonds13

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

(2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide (PubChem CID 22840709) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is (2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
PubChem CID22840709
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC Name(2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
SMILESCCCCCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1cccnc1
InChIInChI=1S/C26H35N3O/c1-3-4-5-6-14-24(25-16-10-19-28-21-25)15-8-17-26(30)29-22(2)11-7-12-23-13-9-18-27-20-23/h8-10,13,15-22H,3-7,11-12,14H2,1-2H3,(H,29,30)/b17-8+,24-15+/t22-/m1/s1
InChIKeyVDOVWGMUBLYAMD-ILJIAISRSA-N
XLogP5.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-(2,6-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
CID 54150101
(2E,4E)-5-(3-methoxyphenyl)-4-methyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
CID 22840644
5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54386374
(2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 22840630
N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide
CID 23051243
N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis(3,4,5-trimethoxyphenyl)penta-2,4-dienamide
CID 54410484
5-(4-methoxyphenyl)-N-[(2R)-5-thiophen-3-ylpentan-2-yl]deca-2,4-dienamide
CID 54039814
5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54263172
(2E,4E)-5-(4-methoxyphenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]undeca-2,4-dienamide
CID 22155183
5-(4-methoxynaphthalen-2-yl)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54167167
1-pyridin-3-ylheptan-4-ylcarbamic acid
CID 22155280
(E)-3-(1-butyl-3-methoxynaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide
CID 102061796

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide?
The IUPAC name of (2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide (CID 22840709) is (2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide is CCCCCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1cccnc1.
What is the InChIKey of (2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide?
The InChIKey is VDOVWGMUBLYAMD-ILJIAISRSA-N. The full InChI is InChI=1S/C26H35N3O/c1-3-4-5-6-14-24(25-16-10-19-28-21-25)15-8-17-26(30)29-22(2)11-7-12-23-13-9-18-27-20-23/h8-10,13,15-22H,3-7,11-12,14H2,1-2H3,(H,29,30)/b17-8+,24-15+/t22-/m1/s1.
What are the key properties of (2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide?
(2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide has a molecular weight of 405.59 g/mol, XLogP of 5.91, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide is sourced from PubChem (CID 22840709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).