N-(4,6-dimethylpyrimidin-2-yl)-4-(propanoylamino)benzamide

C16H18N4O2 — CID 3254451

IUPACN-(4,6-dimethylpyrimidin-2-yl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C16H18N4O2/c1-4-14(21)19-13-7-5-12(6-8-13)15(22)20-16-17-10(2)9-11(3)18-16/h5-9H,4H2,1-3H3,(H,19,21)(H,17,18,20,22)
InChIKeyDWUMBTOFPWWOOW-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.69
Rot. Bonds4

About N-(4,6-dimethylpyrimidin-2-yl)-4-(propanoylamino)benzamide

N-(4,6-dimethylpyrimidin-2-yl)-4-(propanoylamino)benzamide (PubChem CID 3254451) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-4-(propanoylamino)benzamide
PubChem CID3254451
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C16H18N4O2/c1-4-14(21)19-13-7-5-12(6-8-13)15(22)20-16-17-10(2)9-11(3)18-16/h5-9H,4H2,1-3H3,(H,19,21)(H,17,18,20,22)
InChIKeyDWUMBTOFPWWOOW-UHFFFAOYSA-N
XLogP2.69
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 5197815
N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324
N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
CID 2984948
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pyrimidin-2-ylbenzamide
CID 108796607
N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide
CID 6458962
N-[4-[[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]phenyl]propanamide
CID 3363508
N-[4-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl]phenyl]propanamide
CID 6496926
N-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide
CID 107676575
5-hydroxy-N-[4-(propanoylamino)phenyl]pyridine-3-carboxamide
CID 63859925
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-(methylamino)benzamide
CID 107603439
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
methyl 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]benzoate
CID 1187341

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-(propanoylamino)benzamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-(propanoylamino)benzamide (CID 3254451) is N-(4,6-dimethylpyrimidin-2-yl)-4-(propanoylamino)benzamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-4-(propanoylamino)benzamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-4-(propanoylamino)benzamide?
The InChIKey is DWUMBTOFPWWOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-4-14(21)19-13-7-5-12(6-8-13)15(22)20-16-17-10(2)9-11(3)18-16/h5-9H,4H2,1-3H3,(H,19,21)(H,17,18,20,22).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-4-(propanoylamino)benzamide?
N-(4,6-dimethylpyrimidin-2-yl)-4-(propanoylamino)benzamide has a molecular weight of 298.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-4-(propanoylamino)benzamide is sourced from PubChem (CID 3254451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).