3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide

C22H26N4O4 — CID 90564983

IUPAC3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(-n3ccnc3C)nc2)cc(OCC)c1OCC
InChIInChI=1S/C22H26N4O4/c1-5-28-18-12-16(13-19(29-6-2)21(18)30-7-3)22(27)25-17-8-9-20(24-14-17)26-11-10-23-15(26)4/h8-14H,5-7H2,1-4H3,(H,25,27)
InChIKeyLGGOMVXEPXOYRK-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.02
Rot. Bonds9

About 3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide

3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide (PubChem CID 90564983) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
PubChem CID90564983
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(-n3ccnc3C)nc2)cc(OCC)c1OCC
InChIInChI=1S/C22H26N4O4/c1-5-28-18-12-16(13-19(29-6-2)21(18)30-7-3)22(27)25-17-8-9-20(24-14-17)26-11-10-23-15(26)4/h8-14H,5-7H2,1-4H3,(H,25,27)
InChIKeyLGGOMVXEPXOYRK-UHFFFAOYSA-N
XLogP4.02
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
CID 90564970
3,4,5-triethoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478549
2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride
CID 71691689
5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
CID 90565097
2-amino-2-ethyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 79813550
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-3-propan-2-yloxypropanamide
CID 87018905
2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
CID 75434860
1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
CID 90565133
7-fluoro-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]isoquinoline-5-carboxamide
CID 155963022
3-chloro-5-ethoxy-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 55483903
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2,2-diphenylacetamide
CID 90565042
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide (CID 90564983) is 3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide is CCOc1cc(C(=O)Nc2ccc(-n3ccnc3C)nc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide?
The InChIKey is LGGOMVXEPXOYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-5-28-18-12-16(13-19(29-6-2)21(18)30-7-3)22(27)25-17-8-9-20(24-14-17)26-11-10-23-15(26)4/h8-14H,5-7H2,1-4H3,(H,25,27).
What are the key properties of 3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide?
3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide has a molecular weight of 410.47 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 90564983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).