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

C12H16N2O3 — CID 79800191

IUPACN-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide
SMILESCC(Oc1ccc(CO)nc1)C(=O)NC1CC1
InChIInChI=1S/C12H16N2O3/c1-8(12(16)14-9-2-3-9)17-11-5-4-10(7-15)13-6-11/h4-6,8-9,15H,2-3,7H2,1H3,(H,14,16)
InChIKeyIICWRFUDNXCPPK-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.62
Rot. Bonds5

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

N-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide (PubChem CID 79800191) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide
PubChem CID79800191
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide
SMILESCC(Oc1ccc(CO)nc1)C(=O)NC1CC1
InChIInChI=1S/C12H16N2O3/c1-8(12(16)14-9-2-3-9)17-11-5-4-10(7-15)13-6-11/h4-6,8-9,15H,2-3,7H2,1H3,(H,14,16)
InChIKeyIICWRFUDNXCPPK-UHFFFAOYSA-N
XLogP0.62
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide
CID 79783476
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-methylpropanamide
CID 79799827
N-cyclopropyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79782291
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide
CID 79795592
N-carbamoyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide
CID 79799924
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide
CID 79799543
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-prop-2-enylpropanamide
CID 79794355
N-carbamoyl-2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79781513
ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate
CID 79800630
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
N-cyclopropyl-2-(4-ethylphenoxy)propanamide
CID 60625156
1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one
CID 79800104

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide?
The IUPAC name of N-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide (CID 79800191) is N-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide?
The canonical SMILES for N-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide is CC(Oc1ccc(CO)nc1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide?
The InChIKey is IICWRFUDNXCPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(12(16)14-9-2-3-9)17-11-5-4-10(7-15)13-6-11/h4-6,8-9,15H,2-3,7H2,1H3,(H,14,16).
What are the key properties of N-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide?
N-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide has a molecular weight of 236.27 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide is sourced from PubChem (CID 79800191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).