2-(hydroxymethyl)-N,3-dimethyl-N-pyridin-3-ylbutanamide

C12H18N2O2 — CID 115187257

IUPAC2-(hydroxymethyl)-N,3-dimethyl-N-pyridin-3-ylbutanamide
SMILESCC(C)C(CO)C(=O)N(C)c1cccnc1
InChIInChI=1S/C12H18N2O2/c1-9(2)11(8-15)12(16)14(3)10-5-4-6-13-7-10/h4-7,9,11,15H,8H2,1-3H3
InChIKeyYANBQVOAUUAQDR-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.31
Rot. Bonds4

About 2-(hydroxymethyl)-N,3-dimethyl-N-pyridin-3-ylbutanamide

2-(hydroxymethyl)-N,3-dimethyl-N-pyridin-3-ylbutanamide (PubChem CID 115187257) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N,3-dimethyl-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N,3-dimethyl-N-pyridin-3-ylbutanamide
PubChem CID115187257
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(hydroxymethyl)-N,3-dimethyl-N-pyridin-3-ylbutanamide
SMILESCC(C)C(CO)C(=O)N(C)c1cccnc1
InChIInChI=1S/C12H18N2O2/c1-9(2)11(8-15)12(16)14(3)10-5-4-6-13-7-10/h4-7,9,11,15H,8H2,1-3H3
InChIKeyYANBQVOAUUAQDR-UHFFFAOYSA-N
XLogP1.31
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-methyl-2-methylsulfanyl-N-pyridin-3-ylpropanamide
CID 124505183
N-(4-chlorophenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187219
N-(4-ethylphenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187214
6-amino-N,2-dimethyl-N-pyridin-3-ylheptanamide
CID 65291290
2-amino-3-methoxy-N-methyl-N-pyridin-3-ylpropanamide
CID 81088465
N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 115187356
3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butan-1-ol
CID 115251995
5-amino-N-methyl-N-pyridin-3-ylhexanamide
CID 82852147
[2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid
CID 174507293
methyl 3-methyl-2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoate
CID 115188075
4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 115151182

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N,3-dimethyl-N-pyridin-3-ylbutanamide?
The IUPAC name of 2-(hydroxymethyl)-N,3-dimethyl-N-pyridin-3-ylbutanamide (CID 115187257) is 2-(hydroxymethyl)-N,3-dimethyl-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 2-(hydroxymethyl)-N,3-dimethyl-N-pyridin-3-ylbutanamide?
The canonical SMILES for 2-(hydroxymethyl)-N,3-dimethyl-N-pyridin-3-ylbutanamide is CC(C)C(CO)C(=O)N(C)c1cccnc1.
What is the InChIKey of 2-(hydroxymethyl)-N,3-dimethyl-N-pyridin-3-ylbutanamide?
The InChIKey is YANBQVOAUUAQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)11(8-15)12(16)14(3)10-5-4-6-13-7-10/h4-7,9,11,15H,8H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-N,3-dimethyl-N-pyridin-3-ylbutanamide?
2-(hydroxymethyl)-N,3-dimethyl-N-pyridin-3-ylbutanamide has a molecular weight of 222.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N,3-dimethyl-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 115187257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).