3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide

C14H14N2O3 — CID 103891587

IUPAC3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1cccnc1)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H14N2O3/c1-16(9-10-3-2-4-15-8-10)14(19)11-5-12(17)7-13(18)6-11/h2-8,17-18H,9H2,1H3
InChIKeyNOZQGXDOFSQTQG-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.76
Rot. Bonds3

About 3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide

3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 103891587) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID103891587
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1cccnc1)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H14N2O3/c1-16(9-10-3-2-4-15-8-10)14(19)11-5-12(17)7-13(18)6-11/h2-8,17-18H,9H2,1H3
InChIKeyNOZQGXDOFSQTQG-UHFFFAOYSA-N
XLogP1.76
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
4-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86977207
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 115116120
3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103734687
6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463472
N,3,4-trimethyl-N-(pyridin-3-ylmethyl)-5-sulfamoylbenzamide
CID 39791197
N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide
CID 103891567
N-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 47112744
N-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43397556
3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 87002102

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 103891587) is 3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide is CN(Cc1cccnc1)C(=O)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is NOZQGXDOFSQTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-16(9-10-3-2-4-15-8-10)14(19)11-5-12(17)7-13(18)6-11/h2-8,17-18H,9H2,1H3.
What are the key properties of 3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 258.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 103891587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).