N-(2-hydroxybutyl)-2-(3-methyl-2-pyridinyl)acetamide

C12H18N2O2 — CID 107148270

IUPACN-(2-hydroxybutyl)-2-(3-methyl-2-pyridinyl)acetamide
SMILESCCC(O)CNC(=O)Cc1ncccc1C
InChIInChI=1S/C12H18N2O2/c1-3-10(15)8-14-12(16)7-11-9(2)5-4-6-13-11/h4-6,10,15H,3,7-8H2,1-2H3,(H,14,16)
InChIKeyZRSNNNWDEIJKME-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.82
Rot. Bonds5

About N-(2-hydroxybutyl)-2-(3-methyl-2-pyridinyl)acetamide

N-(2-hydroxybutyl)-2-(3-methyl-2-pyridinyl)acetamide (PubChem CID 107148270) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2-hydroxybutyl)-2-(3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxybutyl)-2-(3-methyl-2-pyridinyl)acetamide
PubChem CID107148270
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(2-hydroxybutyl)-2-(3-methyl-2-pyridinyl)acetamide
SMILESCCC(O)CNC(=O)Cc1ncccc1C
InChIInChI=1S/C12H18N2O2/c1-3-10(15)8-14-12(16)7-11-9(2)5-4-6-13-11/h4-6,10,15H,3,7-8H2,1-2H3,(H,14,16)
InChIKeyZRSNNNWDEIJKME-UHFFFAOYSA-N
XLogP0.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]butanoic acid
CID 107147232
N-(2-amino-2-cyclopropylethyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148527
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
N-[(2R)-1-hydroxybutan-2-yl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148274
N-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148243
4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147074
N-(1-aminopropan-2-yl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148434
3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147106
N-[2-(2-methoxyethylamino)ethyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148548
2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid
CID 107147287
N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148441
1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one
CID 15357183

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxybutyl)-2-(3-methyl-2-pyridinyl)acetamide?
The IUPAC name of N-(2-hydroxybutyl)-2-(3-methyl-2-pyridinyl)acetamide (CID 107148270) is N-(2-hydroxybutyl)-2-(3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for N-(2-hydroxybutyl)-2-(3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for N-(2-hydroxybutyl)-2-(3-methyl-2-pyridinyl)acetamide is CCC(O)CNC(=O)Cc1ncccc1C.
What is the InChIKey of N-(2-hydroxybutyl)-2-(3-methyl-2-pyridinyl)acetamide?
The InChIKey is ZRSNNNWDEIJKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-10(15)8-14-12(16)7-11-9(2)5-4-6-13-11/h4-6,10,15H,3,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-(2-hydroxybutyl)-2-(3-methyl-2-pyridinyl)acetamide?
N-(2-hydroxybutyl)-2-(3-methyl-2-pyridinyl)acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxybutyl)-2-(3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 107148270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).