N-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide

C15H16N4O4 — CID 121167268

IUPACN-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2cc(NC(C)=O)ccc2OC)ncn1
InChIInChI=1S/C15H16N4O4/c1-9(20)18-10-4-5-13(22-2)11(6-10)19-15(21)12-7-14(23-3)17-8-16-12/h4-8H,1-3H3,(H,18,20)(H,19,21)
InChIKeySTVPWHDTTFDUOP-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.70
Rot. Bonds5

About N-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide

N-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide (PubChem CID 121167268) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide
PubChem CID121167268
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2cc(NC(C)=O)ccc2OC)ncn1
InChIInChI=1S/C15H16N4O4/c1-9(20)18-10-4-5-13(22-2)11(6-10)19-15(21)12-7-14(23-3)17-8-16-12/h4-8H,1-3H3,(H,18,20)(H,19,21)
InChIKeySTVPWHDTTFDUOP-UHFFFAOYSA-N
XLogP1.70
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 62047199
6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 121167255
N-(5-acetamido-2-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17417372
6-methoxy-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 121167294
6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 121167293
N-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 120617186
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16821159
4-(4-acetamidoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221861
N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167280
N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167315
6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
CID 121167413
N-(4-acetamidophenyl)-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109221888

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide (CID 121167268) is N-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide is COc1cc(C(=O)Nc2cc(NC(C)=O)ccc2OC)ncn1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide?
The InChIKey is STVPWHDTTFDUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-9(20)18-10-4-5-13(22-2)11(6-10)19-15(21)12-7-14(23-3)17-8-16-12/h4-8H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide is sourced from PubChem (CID 121167268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).