2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-methylbenzamide

C18H20N2O3 — CID 144908491

IUPAC2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2ncccc2CO)ccc1OCC1CC1
InChIInChI=1S/C18H20N2O3/c1-19-18(22)15-9-13(17-14(10-21)3-2-8-20-17)6-7-16(15)23-11-12-4-5-12/h2-3,6-9,12,21H,4-5,10-11H2,1H3,(H,19,22)
InChIKeyXZDMDOLBJPZQLA-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.39
Rot. Bonds6

About 2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-methylbenzamide

2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-methylbenzamide (PubChem CID 144908491) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-methylbenzamide
PubChem CID144908491
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2ncccc2CO)ccc1OCC1CC1
InChIInChI=1S/C18H20N2O3/c1-19-18(22)15-9-13(17-14(10-21)3-2-8-20-17)6-7-16(15)23-11-12-4-5-12/h2-3,6-9,12,21H,4-5,10-11H2,1H3,(H,19,22)
InChIKeyXZDMDOLBJPZQLA-UHFFFAOYSA-N
XLogP2.39
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-methylbenzamide?
The IUPAC name of 2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-methylbenzamide (CID 144908491) is 2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-methylbenzamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-methylbenzamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-methylbenzamide is CNC(=O)c1cc(-c2ncccc2CO)ccc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-methylbenzamide?
The InChIKey is XZDMDOLBJPZQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-19-18(22)15-9-13(17-14(10-21)3-2-8-20-17)6-7-16(15)23-11-12-4-5-12/h2-3,6-9,12,21H,4-5,10-11H2,1H3,(H,19,22).
What are the key properties of 2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-methylbenzamide?
2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-methylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-methylbenzamide is sourced from PubChem (CID 144908491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).