3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide

C20H19N3O5 — CID 122302212

IUPAC3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
SMILESCOc1cc(C(=O)Nc2cnc(Oc3ccccc3)nc2)cc(OC)c1OC
InChIInChI=1S/C20H19N3O5/c1-25-16-9-13(10-17(26-2)18(16)27-3)19(24)23-14-11-21-20(22-12-14)28-15-7-5-4-6-8-15/h4-12H,1-3H3,(H,23,24)
InChIKeyRRABMLXPLIBEJW-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.55
Rot. Bonds7

About 3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide

3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide (PubChem CID 122302212) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
PubChem CID122302212
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
SMILESCOc1cc(C(=O)Nc2cnc(Oc3ccccc3)nc2)cc(OC)c1OC
InChIInChI=1S/C20H19N3O5/c1-25-16-9-13(10-17(26-2)18(16)27-3)19(24)23-14-11-21-20(22-12-14)28-15-7-5-4-6-8-15/h4-12H,1-3H3,(H,23,24)
InChIKeyRRABMLXPLIBEJW-UHFFFAOYSA-N
XLogP3.55
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide
CID 122303589
N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide
CID 122302221
3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 4033841
4-(dimethylamino)-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302379
4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302430
3,4,5-trimethoxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154687
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
2,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302232
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide
CID 91968353
3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-5-carboxamide
CID 122302383

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide (CID 122302212) is 3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide is COc1cc(C(=O)Nc2cnc(Oc3ccccc3)nc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide?
The InChIKey is RRABMLXPLIBEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-25-16-9-13(10-17(26-2)18(16)27-3)19(24)23-14-11-21-20(22-12-14)28-15-7-5-4-6-8-15/h4-12H,1-3H3,(H,23,24).
What are the key properties of 3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide?
3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide has a molecular weight of 381.39 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide is sourced from PubChem (CID 122302212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).