3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide

C9H12N2O2 — CID 90892089

IUPAC3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide
SMILESCN(C(=O)CCO)c1ccncc1
InChIInChI=1S/C9H12N2O2/c1-11(9(13)4-7-12)8-2-5-10-6-3-8/h2-3,5-6,12H,4,7H2,1H3
InChIKeyRRLJABUKMIWEQH-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.43
Rot. Bonds3

About 3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide

3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide (PubChem CID 90892089) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide
PubChem CID90892089
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide
SMILESCN(C(=O)CCO)c1ccncc1
InChIInChI=1S/C9H12N2O2/c1-11(9(13)4-7-12)8-2-5-10-6-3-8/h2-3,5-6,12H,4,7H2,1H3
InChIKeyRRLJABUKMIWEQH-UHFFFAOYSA-N
XLogP0.43
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-methyl-N-pyridin-4-ylbutanamide
CID 106937601
N-methyl-N-pyridin-4-ylpropanamide
CID 59710602
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
methyl(pyridin-4-yl)carbamic acid
CID 54205463
2-(ethylamino)-N-methyl-N-pyridin-4-ylacetamide
CID 106935129
2-(2-hydroxyphenyl)-N-methyl-N-pyridin-4-ylacetamide
CID 106936085
N-(4-butan-2-ylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138838
N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide
CID 106935104
2,2-diethyl-4-[methyl(pyridin-4-yl)amino]-4-oxobutanoic acid
CID 106934627
N-methyl-2-(prop-2-ynylamino)-N-pyridin-4-ylacetamide
CID 106935064
N-methyl-3-piperidin-4-yloxy-N-pyridin-4-ylpropanamide
CID 106935070
2-(1-aminocyclopentyl)-N-methyl-N-pyridin-4-ylacetamide
CID 106935018

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide?
The IUPAC name of 3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide (CID 90892089) is 3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide is CN(C(=O)CCO)c1ccncc1.
What is the InChIKey of 3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide?
The InChIKey is RRLJABUKMIWEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(9(13)4-7-12)8-2-5-10-6-3-8/h2-3,5-6,12H,4,7H2,1H3.
What are the key properties of 3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide?
3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide has a molecular weight of 180.21 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 90892089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).