(E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide

C14H20N2O2 — CID 113340817

IUPAC(E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide
SMILESCC(CO)CCCNC(=O)/C=C/c1cccnc1
InChIInChI=1S/C14H20N2O2/c1-12(11-17)4-2-9-16-14(18)7-6-13-5-3-8-15-10-13/h3,5-8,10,12,17H,2,4,9,11H2,1H3,(H,16,18)/b7-6+
InChIKeyWFYTVIVELGPVCN-VOTSOKGWSA-N
MW248.33 g/mol
LogP1.62
Rot. Bonds7

About (E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide

(E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide (PubChem CID 113340817) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide
PubChem CID113340817
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide
SMILESCC(CO)CCCNC(=O)/C=C/c1cccnc1
InChIInChI=1S/C14H20N2O2/c1-12(11-17)4-2-9-16-14(18)7-6-13-5-3-8-15-10-13/h3,5-8,10,12,17H,2,4,9,11H2,1H3,(H,16,18)/b7-6+
InChIKeyWFYTVIVELGPVCN-VOTSOKGWSA-N
XLogP1.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
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'}

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Related Compounds

(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
4-methyl-6-(3-pyridin-3-ylprop-2-enoylamino)hexanoic acid
CID 77024850
3-pyridin-3-yl-N-(3-sulfonylpropyl)prop-2-enamide
CID 173201309
(E)-3-(3,4-dichlorophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
CID 103861421
7-(3-pyridin-3-ylprop-2-enoylamino)heptanoic acid
CID 74872321
(E)-3-(2,6-dichlorophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
CID 103861642
(E)-3-(2-bromophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
CID 103861687
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide
CID 103843405
2-[(3-pyridin-3-ylprop-2-enoylamino)methyl]butanoic acid
CID 77061172
(E)-N-[2-(4-propan-2-yloxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 33159916
(E)-N-[(2R)-1-hydroxybutan-2-yl]-3-pyridin-3-ylprop-2-enamide
CID 103919982
methyl 2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetate
CID 43423203

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide (CID 113340817) is (E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide is CC(CO)CCCNC(=O)/C=C/c1cccnc1.
What is the InChIKey of (E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide?
The InChIKey is WFYTVIVELGPVCN-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-12(11-17)4-2-9-16-14(18)7-6-13-5-3-8-15-10-13/h3,5-8,10,12,17H,2,4,9,11H2,1H3,(H,16,18)/b7-6+.
What are the key properties of (E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide?
(E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide has a molecular weight of 248.33 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 113340817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).