2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide

C11H15N3O4 — CID 79799543

IUPAC2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1ccc(CO)nc1
InChIInChI=1S/C11H15N3O4/c1-7(10(16)14-11(17)12-2)18-9-4-3-8(6-15)13-5-9/h3-5,7,15H,6H2,1-2H3,(H2,12,14,16,17)
InChIKeyBBOWFPVRSNQYBK-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.20
Rot. Bonds4

About 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide

2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide (PubChem CID 79799543) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide
PubChem CID79799543
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1ccc(CO)nc1
InChIInChI=1S/C11H15N3O4/c1-7(10(16)14-11(17)12-2)18-9-4-3-8(6-15)13-5-9/h3-5,7,15H,6H2,1-2H3,(H2,12,14,16,17)
InChIKeyBBOWFPVRSNQYBK-UHFFFAOYSA-N
XLogP-0.20
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-methylpropanamide
CID 79799827
N-carbamoyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide
CID 79799924
2-[(6-fluoro-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide
CID 115371762
N-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide
CID 79800191
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-prop-2-enylpropanamide
CID 79794355
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-N-(ethylcarbamoyl)propanamide
CID 79782281
ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate
CID 79800630
2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107709553
2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid
CID 79776211
N-(methylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495453
methyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol
CID 68550824
2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43276952

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide (CID 79799543) is 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Oc1ccc(CO)nc1.
What is the InChIKey of 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide?
The InChIKey is BBOWFPVRSNQYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7(10(16)14-11(17)12-2)18-9-4-3-8(6-15)13-5-9/h3-5,7,15H,6H2,1-2H3,(H2,12,14,16,17).
What are the key properties of 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide?
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide has a molecular weight of 253.26 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 79799543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).