2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide

C14H14N2O3 — CID 104957549

IUPAC2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1cnccc1CNC(=O)c1ccc(O)cc1O
InChIInChI=1S/C14H14N2O3/c1-9-7-15-5-4-10(9)8-16-14(19)12-3-2-11(17)6-13(12)18/h2-7,17-18H,8H2,1H3,(H,16,19)
InChIKeyWJUPDWXUIXSKHC-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.73
Rot. Bonds3

About 2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide

2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide (PubChem CID 104957549) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
PubChem CID104957549
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1cnccc1CNC(=O)c1ccc(O)cc1O
InChIInChI=1S/C14H14N2O3/c1-9-7-15-5-4-10(9)8-16-14(19)12-3-2-11(17)6-13(12)18/h2-7,17-18H,8H2,1H3,(H,16,19)
InChIKeyWJUPDWXUIXSKHC-UHFFFAOYSA-N
XLogP1.73
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104957562
3-hydroxy-2-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700649
2-hydroxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700654
2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701849
2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104956264
2-amino-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698170
3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide
CID 81443108
5-methyl-2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701834
3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698194
2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700594
2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114701808
4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700612

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide (CID 104957549) is 2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide is Cc1cnccc1CNC(=O)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The InChIKey is WJUPDWXUIXSKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-7-15-5-4-10(9)8-16-14(19)12-3-2-11(17)6-13(12)18/h2-7,17-18H,8H2,1H3,(H,16,19).
What are the key properties of 2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide has a molecular weight of 258.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 104957549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).