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

C22H26N2O2 — CID 54263172

IUPAC5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
SMILESCOc1ccc(C=CC=CC(=O)N[C@H](C)CCCc2cccnc2)cc1
InChIInChI=1S/C22H26N2O2/c1-18(7-5-9-20-10-6-16-23-17-20)24-22(25)11-4-3-8-19-12-14-21(26-2)15-13-19/h3-4,6,8,10-18H,5,7,9H2,1-2H3,(H,24,25)/t18-/m1/s1
InChIKeyREYBNWBLZHXGFK-GOSISDBHSA-N
MW350.46 g/mol
LogP4.19
Rot. Bonds9

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

5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide (PubChem CID 54263172) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
PubChem CID54263172
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
SMILESCOc1ccc(C=CC=CC(=O)N[C@H](C)CCCc2cccnc2)cc1
InChIInChI=1S/C22H26N2O2/c1-18(7-5-9-20-10-6-16-23-17-20)24-22(25)11-4-3-8-19-12-14-21(26-2)15-13-19/h3-4,6,8,10-18H,5,7,9H2,1-2H3,(H,24,25)/t18-/m1/s1
InChIKeyREYBNWBLZHXGFK-GOSISDBHSA-N
XLogP4.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.19
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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Related Compounds

5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54386374
5-(4-methoxynaphthalen-2-yl)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54167167
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
3-(6-methoxy-1-propyl-3,4-dihydronaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide
CID 54187000
(E)-3-[(1R)-2,2-bis(3-methoxyphenyl)cyclopropyl]-N-[(2S)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide
CID 86742538
5-(2,6-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
CID 54150101
N-[(1R)-1-cyclopentyl-4-pyridin-3-ylbutyl]-5,5-bis(4-methoxyphenyl)penta-2,4-dienamide
CID 57019933
(2E,4E)-5-(3-methoxyphenyl)-4-methyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
CID 22840644
(E)-3-(1-butyl-3-methoxynaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide
CID 102061796
(2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 22840630
(2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
CID 22840709

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide (CID 54263172) is 5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide is COc1ccc(C=CC=CC(=O)N[C@H](C)CCCc2cccnc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide?
The InChIKey is REYBNWBLZHXGFK-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-18(7-5-9-20-10-6-16-23-17-20)24-22(25)11-4-3-8-19-12-14-21(26-2)15-13-19/h3-4,6,8,10-18H,5,7,9H2,1-2H3,(H,24,25)/t18-/m1/s1.
What are the key properties of 5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide?
5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide has a molecular weight of 350.46 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide is sourced from PubChem (CID 54263172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).