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

C9H12N2O2 — CID 59848916

IUPAC4-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(CO)ccn1
InChIInChI=1S/C9H12N2O2/c1-11(2)9(13)8-5-7(6-12)3-4-10-8/h3-5,12H,6H2,1-2H3
InChIKeyOCLLSOCUPUYHED-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.28
Rot. Bonds2

About 4-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide

4-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide (PubChem CID 59848916) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide
PubChem CID59848916
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(CO)ccn1
InChIInChI=1S/C9H12N2O2/c1-11(2)9(13)8-5-7(6-12)3-4-10-8/h3-5,12H,6H2,1-2H3
InChIKeyOCLLSOCUPUYHED-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 4-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide (CID 59848916) is 4-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cc(CO)ccn1.
What is the InChIKey of 4-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is OCLLSOCUPUYHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(2)9(13)8-5-7(6-12)3-4-10-8/h3-5,12H,6H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide?
4-(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 4-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 59848916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).