N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide

C17H18N4O4 — CID 122319384

IUPACN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1ncc(NC(=O)c2cc3cccc(OC)c3o2)c(N(C)C)n1
InChIInChI=1S/C17H18N4O4/c1-21(2)15-11(9-18-17(20-15)24-4)19-16(22)13-8-10-6-5-7-12(23-3)14(10)25-13/h5-9H,1-4H3,(H,19,22)
InChIKeyMHHYVTABPSWISY-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.56
Rot. Bonds5

About N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 122319384) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID122319384
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1ncc(NC(=O)c2cc3cccc(OC)c3o2)c(N(C)C)n1
InChIInChI=1S/C17H18N4O4/c1-21(2)15-11(9-18-17(20-15)24-4)19-16(22)13-8-10-6-5-7-12(23-3)14(10)25-13/h5-9H,1-4H3,(H,19,22)
InChIKeyMHHYVTABPSWISY-UHFFFAOYSA-N
XLogP2.56
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 122304022
N-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 91527109
1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea
CID 71807636
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
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide
CID 122319312
4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
CID 122319529
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
3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
CID 124688750
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(3-methoxyphenoxy)acetamide
CID 122319402

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide (CID 122319384) is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide is COc1ncc(NC(=O)c2cc3cccc(OC)c3o2)c(N(C)C)n1.
What is the InChIKey of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is MHHYVTABPSWISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-21(2)15-11(9-18-17(20-15)24-4)19-16(22)13-8-10-6-5-7-12(23-3)14(10)25-13/h5-9H,1-4H3,(H,19,22).
What are the key properties of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 122319384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).