4-(4-methoxypyrimidin-2-yl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide

C17H20N4O3 — CID 119060959

IUPAC4-(4-methoxypyrimidin-2-yl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1ccc(-c2nccc(OC)n2)cc1
InChIInChI=1S/C17H20N4O3/c1-18-14(22)9-11-21(2)17(23)13-6-4-12(5-7-13)16-19-10-8-15(20-16)24-3/h4-8,10H,9,11H2,1-3H3,(H,18,22)
InChIKeyXYMLDUVORABROJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.36
Rot. Bonds6

About 4-(4-methoxypyrimidin-2-yl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide

4-(4-methoxypyrimidin-2-yl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 119060959) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-(4-methoxypyrimidin-2-yl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-(4-methoxypyrimidin-2-yl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID119060959
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name4-(4-methoxypyrimidin-2-yl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1ccc(-c2nccc(OC)n2)cc1
InChIInChI=1S/C17H20N4O3/c1-18-14(22)9-11-21(2)17(23)13-6-4-12(5-7-13)16-19-10-8-15(20-16)24-3/h4-8,10H,9,11H2,1-3H3,(H,18,22)
InChIKeyXYMLDUVORABROJ-UHFFFAOYSA-N
XLogP1.36
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate
CID 54980118
4-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 56900068
4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913755
3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 106915192
4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide
CID 125436967
3-hydroxy-4-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 104628237
4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 113339013
3-amino-2-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913762
(2R)-1-[4-(4-methoxypyrimidin-2-yl)benzoyl]-N-methylpiperidine-2-carboxamide
CID 126429824
2-[[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 106916966
N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106916885
2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913718

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypyrimidin-2-yl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-(4-methoxypyrimidin-2-yl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 119060959) is 4-(4-methoxypyrimidin-2-yl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-(4-methoxypyrimidin-2-yl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-(4-methoxypyrimidin-2-yl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)CCN(C)C(=O)c1ccc(-c2nccc(OC)n2)cc1.
What is the InChIKey of 4-(4-methoxypyrimidin-2-yl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is XYMLDUVORABROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-18-14(22)9-11-21(2)17(23)13-6-4-12(5-7-13)16-19-10-8-15(20-16)24-3/h4-8,10H,9,11H2,1-3H3,(H,18,22).
What are the key properties of 4-(4-methoxypyrimidin-2-yl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
4-(4-methoxypyrimidin-2-yl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 328.37 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypyrimidin-2-yl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 119060959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).