N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide

C16H15N3O5 — CID 122304022

IUPACN-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1ncc(NC(=O)c2cc3cccc(OC)c3o2)c(OC)n1
InChIInChI=1S/C16H15N3O5/c1-21-11-6-4-5-9-7-12(24-13(9)11)14(20)18-10-8-17-16(23-3)19-15(10)22-2/h4-8H,1-3H3,(H,18,20)
InChIKeySXEVTQSFBSGDBA-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.50
Rot. Bonds5

About N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide

N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 122304022) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID122304022
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1ncc(NC(=O)c2cc3cccc(OC)c3o2)c(OC)n1
InChIInChI=1S/C16H15N3O5/c1-21-11-6-4-5-9-7-12(24-13(9)11)14(20)18-10-8-17-16(23-3)19-15(10)22-2/h4-8H,1-3H3,(H,18,20)
InChIKeySXEVTQSFBSGDBA-UHFFFAOYSA-N
XLogP2.50
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 122319384
N-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 91527109
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
7-methoxy-N-(2-propan-2-yloxyphenyl)-1-benzofuran-2-carboxamide
CID 53281729
N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 78869079
7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide
CID 122300248
7-methoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 92643178
N-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide
CID 71807571
5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide
CID 71807581
3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
CID 124688750
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40888356
7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40888387

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide (CID 122304022) is N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide is COc1ncc(NC(=O)c2cc3cccc(OC)c3o2)c(OC)n1.
What is the InChIKey of N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is SXEVTQSFBSGDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-21-11-6-4-5-9-7-12(24-13(9)11)14(20)18-10-8-17-16(23-3)19-15(10)22-2/h4-8H,1-3H3,(H,18,20).
What are the key properties of N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide?
N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 122304022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).