N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide

C11H14N2O2 — CID 166414550

IUPACN-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(CCO)Cc1cccnc1
InChIInChI=1S/C11H14N2O2/c1-2-11(15)13(6-7-14)9-10-4-3-5-12-8-10/h2-5,8,14H,1,6-7,9H2
InChIKeyLNHDDIIBFLUHHV-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.59
Rot. Bonds5

About N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide

N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide (PubChem CID 166414550) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
PubChem CID166414550
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(CCO)Cc1cccnc1
InChIInChI=1S/C11H14N2O2/c1-2-11(15)13(6-7-14)9-10-4-3-5-12-8-10/h2-5,8,14H,1,6-7,9H2
InChIKeyLNHDDIIBFLUHHV-UHFFFAOYSA-N
XLogP0.59
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-N-(2-pyridin-3-ylethyl)prop-2-enamide
CID 154880665
N-benzyl-N-(2-hydroxyethyl)-2-pyridin-3-ylacetamide
CID 62689181
3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111022328
3-hydroxy-N-(2-hydroxyethyl)-3-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 110026013
(E)-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobut-2-enoic acid
CID 60951962
1-(2-hydroxyethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-ylmethyl)urea
CID 56826368
3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111102179
N-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 129051180
N-benzyl-N-pentylprop-2-enamide
CID 176825792
2-[prop-2-enyl(2-pyridin-3-ylethyl)amino]ethanol
CID 115631710
N-(2-hydroxyethyl)-N-propyl-3-pyridin-3-ylpropanamide
CID 60682520
N,N-bis(2-phenylethyl)prop-2-enamide
CID 57066259

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide (CID 166414550) is N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide is C=CC(=O)N(CCO)Cc1cccnc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The InChIKey is LNHDDIIBFLUHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-11(15)13(6-7-14)9-10-4-3-5-12-8-10/h2-5,8,14H,1,6-7,9H2.
What are the key properties of N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide has a molecular weight of 206.25 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 166414550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).