N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide

C13H20N2O3 — CID 111784780

IUPACN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCC(CO)Cc1ccccn1
InChIInChI=1S/C13H20N2O3/c1-18-7-5-13(17)15-9-11(10-16)8-12-4-2-3-6-14-12/h2-4,6,11,16H,5,7-10H2,1H3,(H,15,17)
InChIKeyWEHHNBGEBVYKDN-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.39
Rot. Bonds8

About N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide (PubChem CID 111784780) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide
PubChem CID111784780
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCC(CO)Cc1ccccn1
InChIInChI=1S/C13H20N2O3/c1-18-7-5-13(17)15-9-11(10-16)8-12-4-2-3-6-14-12/h2-4,6,11,16H,5,7-10H2,1H3,(H,15,17)
InChIKeyWEHHNBGEBVYKDN-UHFFFAOYSA-N
XLogP0.39
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide
CID 111784833
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
CID 111784465
3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 111784455
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide
CID 111784865
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 111784605
4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide
CID 71862079
2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide
CID 111784877
N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide
CID 97080119
1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793371
5-chloro-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]pyridine-2-carboxamide
CID 71977436
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-(3-phenylbutan-2-yl)urea
CID 111795206

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide (CID 111784780) is N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide is COCCC(=O)NCC(CO)Cc1ccccn1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide?
The InChIKey is WEHHNBGEBVYKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-18-7-5-13(17)15-9-11(10-16)8-12-4-2-3-6-14-12/h2-4,6,11,16H,5,7-10H2,1H3,(H,15,17).
What are the key properties of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide?
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide has a molecular weight of 252.31 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide is sourced from PubChem (CID 111784780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).