4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide

C16H18N4O2 — CID 122322625

IUPAC4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCc2nccc(N(C)C)n2)cc1
InChIInChI=1S/C16H18N4O2/c1-11(21)12-4-6-13(7-5-12)16(22)18-10-14-17-9-8-15(19-14)20(2)3/h4-9H,10H2,1-3H3,(H,18,22)
InChIKeyVVBHWYPKBQDYQJ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.68
Rot. Bonds5

About 4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide

4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide (PubChem CID 122322625) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide
PubChem CID122322625
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCc2nccc(N(C)C)n2)cc1
InChIInChI=1S/C16H18N4O2/c1-11(21)12-4-6-13(7-5-12)16(22)18-10-14-17-9-8-15(19-14)20(2)3/h4-9H,10H2,1-3H3,(H,18,22)
InChIKeyVVBHWYPKBQDYQJ-UHFFFAOYSA-N
XLogP1.68
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide
CID 91967035
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide
CID 122322467
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide
CID 122322468
4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzenesulfonamide
CID 122322642
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide
CID 122322557
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide
CID 72718228
5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide
CID 72718232
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide
CID 91967056
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-nitrofuran-2-carboxamide
CID 122322465
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide
CID 122322627
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-propylthiadiazole-5-carboxamide
CID 122322472
4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254637

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide?
The IUPAC name of 4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide (CID 122322625) is 4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide?
The canonical SMILES for 4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide is CC(=O)c1ccc(C(=O)NCc2nccc(N(C)C)n2)cc1.
What is the InChIKey of 4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide?
The InChIKey is VVBHWYPKBQDYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11(21)12-4-6-13(7-5-12)16(22)18-10-14-17-9-8-15(19-14)20(2)3/h4-9H,10H2,1-3H3,(H,18,22).
What are the key properties of 4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide?
4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide has a molecular weight of 298.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide is sourced from PubChem (CID 122322625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).