3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide

C18H22N2O5 — CID 18109391

IUPAC3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ncccc2O)cc(OCC)c1OCC
InChIInChI=1S/C18H22N2O5/c1-4-23-14-10-12(11-15(24-5-2)16(14)25-6-3)18(22)20-17-13(21)8-7-9-19-17/h7-11,21H,4-6H2,1-3H3,(H,19,20,22)
InChIKeyKCHOTRPVEFEQKM-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.24
Rot. Bonds8

About 3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide

3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide (PubChem CID 18109391) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide
PubChem CID18109391
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ncccc2O)cc(OCC)c1OCC
InChIInChI=1S/C18H22N2O5/c1-4-23-14-10-12(11-15(24-5-2)16(14)25-6-3)18(22)20-17-13(21)8-7-9-19-17/h7-11,21H,4-6H2,1-3H3,(H,19,20,22)
InChIKeyKCHOTRPVEFEQKM-UHFFFAOYSA-N
XLogP3.24
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-triethoxy-N-quinolin-8-ylbenzamide
CID 1018003
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
N-(3-hydroxy-2-pyridinyl)-4-methylbenzamide
CID 25342946
N-(3-hydroxy-2-pyridinyl)pyridine-4-carboxamide
CID 30160671
4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 35031623
3,4,5-triethoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 649583
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504
N-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide
CID 75401141
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide
CID 78778639
4-ethoxy-3-methoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 25344175
4-(2-amino-2-oxoethoxy)-3-chloro-N-(3-hydroxy-2-pyridinyl)-5-methoxybenzamide
CID 29476148

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide (CID 18109391) is 3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide is CCOc1cc(C(=O)Nc2ncccc2O)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide?
The InChIKey is KCHOTRPVEFEQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-4-23-14-10-12(11-15(24-5-2)16(14)25-6-3)18(22)20-17-13(21)8-7-9-19-17/h7-11,21H,4-6H2,1-3H3,(H,19,20,22).
What are the key properties of 3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide?
3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide has a molecular weight of 346.38 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide is sourced from PubChem (CID 18109391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).