3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide

C15H16N2O3 — CID 103957226

IUPAC3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(CN(C)C(=O)c2ccc(O)c(O)c2)n1
InChIInChI=1S/C15H16N2O3/c1-10-4-3-5-12(16-10)9-17(2)15(20)11-6-7-13(18)14(19)8-11/h3-8,18-19H,9H2,1-2H3
InChIKeyODWNTGMBAZCFIV-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.07
Rot. Bonds3

About 3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide

3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide (PubChem CID 103957226) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
PubChem CID103957226
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(CN(C)C(=O)c2ccc(O)c(O)c2)n1
InChIInChI=1S/C15H16N2O3/c1-10-4-3-5-12(16-10)9-17(2)15(20)11-6-7-13(18)14(19)8-11/h3-8,18-19H,9H2,1-2H3
InChIKeyODWNTGMBAZCFIV-UHFFFAOYSA-N
XLogP2.07
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide
CID 107032638
5-hydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 79004030
6-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 79004101
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
ethane;N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 143432699
2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 114372600
4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
CID 79004078
4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 79004039
4-amino-N,6-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 81245334
5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 79003905
ethane;N-ethyl-3,4-dihydroxy-N-methylbenzamide
CID 144926311
N-[(2-bromophenyl)methyl]-3,4-dihydroxy-N-methylbenzamide
CID 103955411

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide (CID 103957226) is 3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide is Cc1cccc(CN(C)C(=O)c2ccc(O)c(O)c2)n1.
What is the InChIKey of 3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The InChIKey is ODWNTGMBAZCFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-4-3-5-12(16-10)9-17(2)15(20)11-6-7-13(18)14(19)8-11/h3-8,18-19H,9H2,1-2H3.
What are the key properties of 3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide has a molecular weight of 272.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 103957226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).