N-(2-hydroxypropyl)-N-methyl-3-pyridin-3-ylprop-2-enamide

C12H16N2O2 — CID 76940045

IUPACN-(2-hydroxypropyl)-N-methyl-3-pyridin-3-ylprop-2-enamide
SMILESCC(O)CN(C)C(=O)C=Cc1cccnc1
InChIInChI=1S/C12H16N2O2/c1-10(15)9-14(2)12(16)6-5-11-4-3-7-13-8-11/h3-8,10,15H,9H2,1-2H3
InChIKeyUSEGBHMVTUUHFK-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.93
Rot. Bonds4

About N-(2-hydroxypropyl)-N-methyl-3-pyridin-3-ylprop-2-enamide

N-(2-hydroxypropyl)-N-methyl-3-pyridin-3-ylprop-2-enamide (PubChem CID 76940045) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-3-pyridin-3-ylprop-2-enamide
PubChem CID76940045
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(2-hydroxypropyl)-N-methyl-3-pyridin-3-ylprop-2-enamide
SMILESCC(O)CN(C)C(=O)C=Cc1cccnc1
InChIInChI=1S/C12H16N2O2/c1-10(15)9-14(2)12(16)6-5-11-4-3-7-13-8-11/h3-8,10,15H,9H2,1-2H3
InChIKeyUSEGBHMVTUUHFK-UHFFFAOYSA-N
XLogP0.93
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.93
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

2-[methyl(3-pyridin-3-ylprop-2-enoyl)amino]propanoic acid
CID 76947242
(E)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 20701426
4-[propan-2-yl-[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butanoic acid
CID 60825706
(E)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 38085432
(E)-N-[2-(3,5-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 20701385
(E)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide
CID 38105491
3-(3-cyanophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide
CID 76939981
(E)-N-[(4-formyl-5-methoxycyclohexa-1,5-dien-1-yl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 142842102
ethane;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465034
(E)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 20701398
(E)-N-[2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 23067304
molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
CID 168909780

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-3-pyridin-3-ylprop-2-enamide (CID 76940045) is N-(2-hydroxypropyl)-N-methyl-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-3-pyridin-3-ylprop-2-enamide is CC(O)CN(C)C(=O)C=Cc1cccnc1.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-3-pyridin-3-ylprop-2-enamide?
The InChIKey is USEGBHMVTUUHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-10(15)9-14(2)12(16)6-5-11-4-3-7-13-8-11/h3-8,10,15H,9H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-3-pyridin-3-ylprop-2-enamide?
N-(2-hydroxypropyl)-N-methyl-3-pyridin-3-ylprop-2-enamide has a molecular weight of 220.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 76940045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).