N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide

C18H22N2O3 — CID 111784833

IUPACN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)NCC(CO)Cc1ccccn1
InChIInChI=1S/C18H22N2O3/c1-23-13-15-6-2-3-8-17(15)18(22)20-11-14(12-21)10-16-7-4-5-9-19-16/h2-9,14,21H,10-13H2,1H3,(H,20,22)
InChIKeyPRRFQOOTAQWRFA-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.81
Rot. Bonds8

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

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide (PubChem CID 111784833) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide
PubChem CID111784833
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)NCC(CO)Cc1ccccn1
InChIInChI=1S/C18H22N2O3/c1-23-13-15-6-2-3-8-17(15)18(22)20-11-14(12-21)10-16-7-4-5-9-19-16/h2-9,14,21H,10-13H2,1H3,(H,20,22)
InChIKeyPRRFQOOTAQWRFA-UHFFFAOYSA-N
XLogP1.81
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide
CID 111784780
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444
N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99814320
4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide
CID 71862079
4-ethyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-5-methylthiophene-2-carboxamide
CID 111784445
5-chloro-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]pyridine-2-carboxamide
CID 71977436
N-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide
CID 113258914
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-(2-thiophen-3-ylpropyl)urea
CID 111795197
N,2-bis(methoxymethyl)benzamide
CID 91153220
1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793371
3-cyclopentyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide
CID 111784848
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide
CID 111784598

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide (CID 111784833) is N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide is COCc1ccccc1C(=O)NCC(CO)Cc1ccccn1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide?
The InChIKey is PRRFQOOTAQWRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-23-13-15-6-2-3-8-17(15)18(22)20-11-14(12-21)10-16-7-4-5-9-19-16/h2-9,14,21H,10-13H2,1H3,(H,20,22).
What are the key properties of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide?
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide has a molecular weight of 314.38 g/mol, XLogP of 1.81, 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]-2-(methoxymethyl)benzamide is sourced from PubChem (CID 111784833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).