N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide

C13H18N2O2 — CID 113340650

IUPACN-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide
SMILESC=CCN(CCO)C(=O)CCc1ccccn1
InChIInChI=1S/C13H18N2O2/c1-2-9-15(10-11-16)13(17)7-6-12-5-3-4-8-14-12/h2-5,8,16H,1,6-7,9-11H2
InChIKeyBXUJKSWCENHZMN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.02
Rot. Bonds7

About N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide

N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide (PubChem CID 113340650) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide
PubChem CID113340650
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide
SMILESC=CCN(CCO)C(=O)CCc1ccccn1
InChIInChI=1S/C13H18N2O2/c1-2-9-15(10-11-16)13(17)7-6-12-5-3-4-8-14-12/h2-5,8,16H,1,6-7,9-11H2
InChIKeyBXUJKSWCENHZMN-UHFFFAOYSA-N
XLogP1.02
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

n'-Hydroxymethylnorcotinine
CID 25201488
N-(4-hydroxycyclohexyl)-6-pyridin-2-ylhexanamide
CID 154665747
4-Acetyl-3-hydroxy-1-(3-methoxy-propyl)-5-pyridin-2-yl-1,5-dihydro-pyrrol-2-one
CID 6602535
3-[Bis(2-hydroxyethyl)amino]-1-pyridin-2-ylpropan-1-one
CID 46231567
3-[Butyl(2-hydroxyethyl)amino]-1-pyridin-2-ylpropan-1-one
CID 46231610
3-[2-Hydroxyethyl(propan-2-yl)amino]-1-pyridin-2-ylpropan-1-one
CID 46231611
10-Undecenamide, N-(2-pyridylmethyl)-
CID 294296
4-(Pyridin-2-yl)butan-2-one
CID 12707222
N'-Hydroxymethyl-norcotinine
CID 433
4-acetyl-3-hydroxy-1-octyl-5-(2-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one
CID 4302366
(2Z)-N-(3-{[3-(dimethylamino)propyl]amino}propyl)-2-(hydroxyimino)-2-(pyridin-2-yl)ethanamide
CID 135449181
1-Methyl-5-(pyridin-2-yl)pyrrolidin-2-one
CID 1227

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide (CID 113340650) is N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide is C=CCN(CCO)C(=O)CCc1ccccn1.
What is the InChIKey of N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide?
The InChIKey is BXUJKSWCENHZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-9-15(10-11-16)13(17)7-6-12-5-3-4-8-14-12/h2-5,8,16H,1,6-7,9-11H2.
What are the key properties of N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide?
N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide has a molecular weight of 234.30 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 113340650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).