6-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide

C9H12N2O2 — CID 59410646

IUPAC6-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(CO)n1
InChIInChI=1S/C9H12N2O2/c1-11(2)9(13)8-5-3-4-7(6-12)10-8/h3-5,12H,6H2,1-2H3
InChIKeyUFPGIFWXMVCHOZ-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.28
Rot. Bonds2

About 6-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide

6-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide (PubChem CID 59410646) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide
PubChem CID59410646
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name6-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(CO)n1
InChIInChI=1S/C9H12N2O2/c1-11(2)9(13)8-5-3-4-7(6-12)10-8/h3-5,12H,6H2,1-2H3
InChIKeyUFPGIFWXMVCHOZ-UHFFFAOYSA-N
XLogP0.28
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 6-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide (CID 59410646) is 6-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 6-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 6-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cccc(CO)n1.
What is the InChIKey of 6-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is UFPGIFWXMVCHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(2)9(13)8-5-3-4-7(6-12)10-8/h3-5,12H,6H2,1-2H3.
What are the key properties of 6-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide?
6-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 59410646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).