4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide

C16H18N4O3 — CID 122319529

IUPAC4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
SMILESCOc1ncc(NC(=O)c2ccc(C(C)=O)cc2)c(N(C)C)n1
InChIInChI=1S/C16H18N4O3/c1-10(21)11-5-7-12(8-6-11)15(22)18-13-9-17-16(23-4)19-14(13)20(2)3/h5-9H,1-4H3,(H,18,22)
InChIKeyBIGAVKFKYWSFOL-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.01
Rot. Bonds5

About 4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide

4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide (PubChem CID 122319529) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
PubChem CID122319529
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
SMILESCOc1ncc(NC(=O)c2ccc(C(C)=O)cc2)c(N(C)C)n1
InChIInChI=1S/C16H18N4O3/c1-10(21)11-5-7-12(8-6-11)15(22)18-13-9-17-16(23-4)19-14(13)20(2)3/h5-9H,1-4H3,(H,18,22)
InChIKeyBIGAVKFKYWSFOL-UHFFFAOYSA-N
XLogP2.01
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
CID 122319436
4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide
CID 122319784
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide
CID 122319515
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122319457
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide
CID 122319312
1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea
CID 71807636
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 122319474
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122319426
1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2,4-dimethylphenyl)urea
CID 122319329
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-methoxybenzamide
CID 91969303
4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide
CID 122303930
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 122319384

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide?
The IUPAC name of 4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide (CID 122319529) is 4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide?
The canonical SMILES for 4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide is COc1ncc(NC(=O)c2ccc(C(C)=O)cc2)c(N(C)C)n1.
What is the InChIKey of 4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide?
The InChIKey is BIGAVKFKYWSFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10(21)11-5-7-12(8-6-11)15(22)18-13-9-17-16(23-4)19-14(13)20(2)3/h5-9H,1-4H3,(H,18,22).
What are the key properties of 4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide?
4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide has a molecular weight of 314.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide is sourced from PubChem (CID 122319529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).