(2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-pyridin-4-ylpenta-2,4-dienamide

C17H22N2O3 — CID 58248666

IUPAC(2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-pyridin-4-ylpenta-2,4-dienamide
SMILESO=C(CO)CCCCCNC(=O)/C=C/C=C/c1ccncc1
InChIInChI=1S/C17H22N2O3/c20-14-16(21)7-2-1-5-11-19-17(22)8-4-3-6-15-9-12-18-13-10-15/h3-4,6,8-10,12-13,20H,1-2,5,7,11,14H2,(H,19,22)/b6-3+,8-4+
InChIKeyVDYFXBYPXLDXOT-PHQNLGIASA-N
MW302.37 g/mol
LogP1.89
Rot. Bonds10

About (2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-pyridin-4-ylpenta-2,4-dienamide

(2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-pyridin-4-ylpenta-2,4-dienamide (PubChem CID 58248666) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-pyridin-4-ylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-pyridin-4-ylpenta-2,4-dienamide
PubChem CID58248666
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-pyridin-4-ylpenta-2,4-dienamide
SMILESO=C(CO)CCCCCNC(=O)/C=C/C=C/c1ccncc1
InChIInChI=1S/C17H22N2O3/c20-14-16(21)7-2-1-5-11-19-17(22)8-4-3-6-15-9-12-18-13-10-15/h3-4,6,8-10,12-13,20H,1-2,5,7,11,14H2,(H,19,22)/b6-3+,8-4+
InChIKeyVDYFXBYPXLDXOT-PHQNLGIASA-N
XLogP1.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-[(E)-3-[(7-hydroxy-6-oxoheptyl)amino]-3-oxoprop-1-enyl]benzamide
CID 58248643
N-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide
CID 85068732
N-hydroxy-5-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]pentanamide
CID 57495401
(2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-(1H-indol-3-yl)penta-2,4-dienamide
CID 58248767
methyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate
CID 76543369
N-hydroxy-6-(5-naphthalen-1-ylpenta-2,4-dienoylamino)hexanamide
CID 85325370
N-hydroxy-6-[[(Z)-3-phenylprop-2-enoyl]amino]hexanamide
CID 87214827
7-(3-pyridin-3-ylprop-2-enoylamino)heptanoic acid
CID 74872321
(E)-N-ethyl-3-pyridin-4-ylprop-2-enamide
CID 131236538
3-(4-fluorophenyl)-N-[8-[3-(4-fluorophenyl)prop-2-enoylamino]octyl]prop-2-enamide
CID 5142775
N-hydroxy-2-methyl-6-(5-phenylpenta-2,4-dienoylamino)hexanamide
CID 76543367
3-phenyl-N-(3-pyridin-4-ylsulfanylpropyl)prop-2-enamide;hydrochloride
CID 67653231

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-pyridin-4-ylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-pyridin-4-ylpenta-2,4-dienamide (CID 58248666) is (2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-pyridin-4-ylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-pyridin-4-ylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-pyridin-4-ylpenta-2,4-dienamide is O=C(CO)CCCCCNC(=O)/C=C/C=C/c1ccncc1.
What is the InChIKey of (2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-pyridin-4-ylpenta-2,4-dienamide?
The InChIKey is VDYFXBYPXLDXOT-PHQNLGIASA-N. The full InChI is InChI=1S/C17H22N2O3/c20-14-16(21)7-2-1-5-11-19-17(22)8-4-3-6-15-9-12-18-13-10-15/h3-4,6,8-10,12-13,20H,1-2,5,7,11,14H2,(H,19,22)/b6-3+,8-4+.
What are the key properties of (2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-pyridin-4-ylpenta-2,4-dienamide?
(2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-pyridin-4-ylpenta-2,4-dienamide has a molecular weight of 302.37 g/mol, XLogP of 1.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-pyridin-4-ylpenta-2,4-dienamide is sourced from PubChem (CID 58248666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).