6-[4-(hydroxymethyl)phenyl]-N,N-dimethylpyridine-2-carboxamide

C15H16N2O2 — CID 77085004

IUPAC6-[4-(hydroxymethyl)phenyl]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(-c2ccc(CO)cc2)n1
InChIInChI=1S/C15H16N2O2/c1-17(2)15(19)14-5-3-4-13(16-14)12-8-6-11(10-18)7-9-12/h3-9,18H,10H2,1-2H3
InChIKeyOLZFVHMVJUMLIQ-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.94
Rot. Bonds3

About 6-[4-(hydroxymethyl)phenyl]-N,N-dimethylpyridine-2-carboxamide

6-[4-(hydroxymethyl)phenyl]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 77085004) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)phenyl]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)phenyl]-N,N-dimethylpyridine-2-carboxamide
PubChem CID77085004
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name6-[4-(hydroxymethyl)phenyl]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(-c2ccc(CO)cc2)n1
InChIInChI=1S/C15H16N2O2/c1-17(2)15(19)14-5-3-4-13(16-14)12-8-6-11(10-18)7-9-12/h3-9,18H,10H2,1-2H3
InChIKeyOLZFVHMVJUMLIQ-UHFFFAOYSA-N
XLogP1.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)phenyl]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 6-[4-(hydroxymethyl)phenyl]-N,N-dimethylpyridine-2-carboxamide (CID 77085004) is 6-[4-(hydroxymethyl)phenyl]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(hydroxymethyl)phenyl]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 6-[4-(hydroxymethyl)phenyl]-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cccc(-c2ccc(CO)cc2)n1.
What is the InChIKey of 6-[4-(hydroxymethyl)phenyl]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is OLZFVHMVJUMLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17(2)15(19)14-5-3-4-13(16-14)12-8-6-11(10-18)7-9-12/h3-9,18H,10H2,1-2H3.
What are the key properties of 6-[4-(hydroxymethyl)phenyl]-N,N-dimethylpyridine-2-carboxamide?
6-[4-(hydroxymethyl)phenyl]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 256.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)phenyl]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 77085004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).