3,5-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide

C19H20N4O3 — CID 16840715

IUPAC3,5-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H20N4O3/c1-10-6-11(2)8-13(7-10)17(24)21-15-12(3)9-20-16-14(15)18(25)23(5)19(26)22(16)4/h6-9H,1-5H3,(H,20,21,24)
InChIKeyOTGOWPGSBDWIGX-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.81
Rot. Bonds2

About 3,5-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide

3,5-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide (PubChem CID 16840715) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide
PubChem CID16840715
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3,5-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H20N4O3/c1-10-6-11(2)8-13(7-10)17(24)21-15-12(3)9-20-16-14(15)18(25)23(5)19(26)22(16)4/h6-9H,1-5H3,(H,20,21,24)
InChIKeyOTGOWPGSBDWIGX-UHFFFAOYSA-N
XLogP1.81
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylsulfamoyl)-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide
CID 16840804
3,3-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide
CID 16840692
2-ethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide
CID 16840693
3-chloro-2,2-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16840710
2-nitro-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide
CID 16840750
4-[(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide
CID 16845222
3-phenyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16840800
N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3,4,5-trimethoxybenzamide
CID 16840883
5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16802512
1,3,6-trimethyl-5-(1,2-oxazol-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845208
1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845153
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide (CID 16840715) is 3,5-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide is Cc1cc(C)cc(C(=O)Nc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)c1.
What is the InChIKey of 3,5-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide?
The InChIKey is OTGOWPGSBDWIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-10-6-11(2)8-13(7-10)17(24)21-15-12(3)9-20-16-14(15)18(25)23(5)19(26)22(16)4/h6-9H,1-5H3,(H,20,21,24).
What are the key properties of 3,5-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide?
3,5-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide has a molecular weight of 352.39 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide is sourced from PubChem (CID 16840715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).