3-(6-methyl-2-propylpyrimidin-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide

C20H24N4O2 — CID 126428801

IUPAC3-(6-methyl-2-propylpyrimidin-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide
SMILESCCCc1nc(C)cc(-c2cccc(C(=O)N[C@H]3CCCNC3=O)c2)n1
InChIInChI=1S/C20H24N4O2/c1-3-6-18-22-13(2)11-17(23-18)14-7-4-8-15(12-14)19(25)24-16-9-5-10-21-20(16)26/h4,7-8,11-12,16H,3,5-6,9-10H2,1-2H3,(H,21,26)(H,24,25)/t16-/m0/s1
InChIKeyGLIUFEWSRTZSRE-INIZCTEOSA-N
MW352.44 g/mol
LogP2.41
Rot. Bonds5

About 3-(6-methyl-2-propylpyrimidin-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide

3-(6-methyl-2-propylpyrimidin-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide (PubChem CID 126428801) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-(6-methyl-2-propylpyrimidin-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(6-methyl-2-propylpyrimidin-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide
PubChem CID126428801
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-(6-methyl-2-propylpyrimidin-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide
SMILESCCCc1nc(C)cc(-c2cccc(C(=O)N[C@H]3CCCNC3=O)c2)n1
InChIInChI=1S/C20H24N4O2/c1-3-6-18-22-13(2)11-17(23-18)14-7-4-8-15(12-14)19(25)24-16-9-5-10-21-20(16)26/h4,7-8,11-12,16H,3,5-6,9-10H2,1-2H3,(H,21,26)(H,24,25)/t16-/m0/s1
InChIKeyGLIUFEWSRTZSRE-INIZCTEOSA-N
XLogP2.41
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-fluoro-2-methylphenyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide
CID 126429793
3-(diethylsulfamoyl)-N-(2-oxopiperidin-3-yl)benzamide
CID 51128604
2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 113378415
3-methoxy-N-(2-oxoazepan-3-yl)benzamide
CID 15069514
4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide
CID 54765874
3-(azepan-1-ylmethyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide
CID 124752306
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-oxopiperidin-3-yl)benzamide
CID 47086063
N-[(3R)-2-oxoazepan-3-yl]-1H-indole-6-carboxamide
CID 6713907
2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 114326439
3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one
CID 80954552
N-[(3S)-2-oxopiperidin-3-yl]-4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzamide
CID 125441871
3-(3-hydroxy-3-methylbut-1-ynyl)-N-(2-oxoazepan-3-yl)benzamide
CID 50950773

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-propylpyrimidin-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
The IUPAC name of 3-(6-methyl-2-propylpyrimidin-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide (CID 126428801) is 3-(6-methyl-2-propylpyrimidin-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide.
What is the SMILES notation for 3-(6-methyl-2-propylpyrimidin-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
The canonical SMILES for 3-(6-methyl-2-propylpyrimidin-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide is CCCc1nc(C)cc(-c2cccc(C(=O)N[C@H]3CCCNC3=O)c2)n1.
What is the InChIKey of 3-(6-methyl-2-propylpyrimidin-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
The InChIKey is GLIUFEWSRTZSRE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-6-18-22-13(2)11-17(23-18)14-7-4-8-15(12-14)19(25)24-16-9-5-10-21-20(16)26/h4,7-8,11-12,16H,3,5-6,9-10H2,1-2H3,(H,21,26)(H,24,25)/t16-/m0/s1.
What are the key properties of 3-(6-methyl-2-propylpyrimidin-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
3-(6-methyl-2-propylpyrimidin-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide has a molecular weight of 352.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-propylpyrimidin-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide is sourced from PubChem (CID 126428801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).