N-[(E,2S,3R)-1,3-dihydroxyhept-4-en-2-yl]-2-pyridin-3-ylacetamide

C14H20N2O3 — CID 58196097

IUPACN-[(E,2S,3R)-1,3-dihydroxyhept-4-en-2-yl]-2-pyridin-3-ylacetamide
SMILESCC/C=C/[C@@H](O)[C@H](CO)NC(=O)Cc1cccnc1
InChIInChI=1S/C14H20N2O3/c1-2-3-6-13(18)12(10-17)16-14(19)8-11-5-4-7-15-9-11/h3-7,9,12-13,17-18H,2,8,10H2,1H3,(H,16,19)/b6-3+/t12-,13+/m0/s1
InChIKeyRHMCKCXBDICSSS-SLEPRMHMSA-N
MW264.32 g/mol
LogP0.43
Rot. Bonds7

About N-[(E,2S,3R)-1,3-dihydroxyhept-4-en-2-yl]-2-pyridin-3-ylacetamide

N-[(E,2S,3R)-1,3-dihydroxyhept-4-en-2-yl]-2-pyridin-3-ylacetamide (PubChem CID 58196097) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(E,2S,3R)-1,3-dihydroxyhept-4-en-2-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(E,2S,3R)-1,3-dihydroxyhept-4-en-2-yl]-2-pyridin-3-ylacetamide
PubChem CID58196097
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(E,2S,3R)-1,3-dihydroxyhept-4-en-2-yl]-2-pyridin-3-ylacetamide
SMILESCC/C=C/[C@@H](O)[C@H](CO)NC(=O)Cc1cccnc1
InChIInChI=1S/C14H20N2O3/c1-2-3-6-13(18)12(10-17)16-14(19)8-11-5-4-7-15-9-11/h3-7,9,12-13,17-18H,2,8,10H2,1H3,(H,16,19)/b6-3+/t12-,13+/m0/s1
InChIKeyRHMCKCXBDICSSS-SLEPRMHMSA-N
XLogP0.43
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,3R)-1,3-dihydroxyhept-4-en-2-yl]-2-pyridin-3-ylacetamide
CID 123752120
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484
N-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide
CID 115767168
N-[(E,2S,3R)-1,3-dihydroxyhept-4-en-2-yl]pentanamide
CID 87945455
(2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 107823734
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 55100610
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide
CID 102673691
(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 103804335
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
N-[(E)-but-2-enyl]-2-pyridin-3-ylacetamide
CID 178011059
3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 67329500

Frequently Asked Questions

What is the IUPAC name of N-[(E,2S,3R)-1,3-dihydroxyhept-4-en-2-yl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(E,2S,3R)-1,3-dihydroxyhept-4-en-2-yl]-2-pyridin-3-ylacetamide (CID 58196097) is N-[(E,2S,3R)-1,3-dihydroxyhept-4-en-2-yl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(E,2S,3R)-1,3-dihydroxyhept-4-en-2-yl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(E,2S,3R)-1,3-dihydroxyhept-4-en-2-yl]-2-pyridin-3-ylacetamide is CC/C=C/[C@@H](O)[C@H](CO)NC(=O)Cc1cccnc1.
What is the InChIKey of N-[(E,2S,3R)-1,3-dihydroxyhept-4-en-2-yl]-2-pyridin-3-ylacetamide?
The InChIKey is RHMCKCXBDICSSS-SLEPRMHMSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-3-6-13(18)12(10-17)16-14(19)8-11-5-4-7-15-9-11/h3-7,9,12-13,17-18H,2,8,10H2,1H3,(H,16,19)/b6-3+/t12-,13+/m0/s1.
What are the key properties of N-[(E,2S,3R)-1,3-dihydroxyhept-4-en-2-yl]-2-pyridin-3-ylacetamide?
N-[(E,2S,3R)-1,3-dihydroxyhept-4-en-2-yl]-2-pyridin-3-ylacetamide has a molecular weight of 264.32 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S,3R)-1,3-dihydroxyhept-4-en-2-yl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 58196097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).