4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide

C12H18N2O2 — CID 115163161

IUPAC4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide
SMILESCN(CCc1cccnc1)C(=O)CCCO
InChIInChI=1S/C12H18N2O2/c1-14(12(16)5-3-9-15)8-6-11-4-2-7-13-10-11/h2,4,7,10,15H,3,5-6,8-9H2,1H3
InChIKeyTWYLGRNEXDEJJJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.86
Rot. Bonds6

About 4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide

4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide (PubChem CID 115163161) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide
PubChem CID115163161
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide
SMILESCN(CCc1cccnc1)C(=O)CCCO
InChIInChI=1S/C12H18N2O2/c1-14(12(16)5-3-9-15)8-6-11-4-2-7-13-10-11/h2,4,7,10,15H,3,5-6,8-9H2,1H3
InChIKeyTWYLGRNEXDEJJJ-UHFFFAOYSA-N
XLogP0.86
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-[methyl(2-pyridin-3-ylethyl)amino]-4-oxobutanoic acid
CID 115165292
2-(ethylamino)-N-methyl-N-(2-pyridin-3-ylethyl)acetamide
CID 115158126
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 95903055
(E)-4-[methyl(2-pyridin-3-ylethyl)amino]-4-oxobut-2-enoic acid
CID 115177328
4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 62691218
ethane;4-pyridin-3-ylbutan-1-ol
CID 177219832
N-methyl-2-piperidin-4-yl-N-(2-pyridin-3-ylethyl)acetamide
CID 115160701
4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115163151
5-hydroxy-1-pyridin-3-ylpentan-2-one
CID 106677611
N-(2-hydroxyethyl)-N-propyl-3-pyridin-3-ylpropanamide
CID 60682520
4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 87010748
N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
CID 86932688

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide?
The IUPAC name of 4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide (CID 115163161) is 4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide.
What is the SMILES notation for 4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide?
The canonical SMILES for 4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide is CN(CCc1cccnc1)C(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide?
The InChIKey is TWYLGRNEXDEJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14(12(16)5-3-9-15)8-6-11-4-2-7-13-10-11/h2,4,7,10,15H,3,5-6,8-9H2,1H3.
What are the key properties of 4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide?
4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide has a molecular weight of 222.29 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide is sourced from PubChem (CID 115163161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).