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

C16H22N4O3 — CID 16840692

IUPAC3,3-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide
SMILESCc1cnc2c(c1NC(=O)CC(C)(C)C)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H22N4O3/c1-9-8-17-13-11(14(22)20(6)15(23)19(13)5)12(9)18-10(21)7-16(2,3)4/h8H,7H2,1-6H3,(H,17,18,21)
InChIKeyCLLJGPXMDSBDKB-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.32
Rot. Bonds2

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

3,3-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide (PubChem CID 16840692) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3,3-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide
PubChem CID16840692
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3,3-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide
SMILESCc1cnc2c(c1NC(=O)CC(C)(C)C)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H22N4O3/c1-9-8-17-13-11(14(22)20(6)15(23)19(13)5)12(9)18-10(21)7-16(2,3)4/h8H,7H2,1-6H3,(H,17,18,21)
InChIKeyCLLJGPXMDSBDKB-UHFFFAOYSA-N
XLogP1.32
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-2,2-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16840710
3-phenyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16840800
2-ethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide
CID 16840693
3,5-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide
CID 16840715
5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16802512
4-(dimethylsulfamoyl)-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide
CID 16840804
2-nitro-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide
CID 16840750
N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-2,2-dimethylpropanamide
CID 16840994
4-[(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide
CID 16845222
4-bromo-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)butanamide
CID 16841281
1,3,6-trimethyl-5-(3-propan-2-yloxypropylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845089
N-(1,3-diethyl-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide
CID 19071362

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide (CID 16840692) is 3,3-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide is Cc1cnc2c(c1NC(=O)CC(C)(C)C)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 3,3-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide?
The InChIKey is CLLJGPXMDSBDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-9-8-17-13-11(14(22)20(6)15(23)19(13)5)12(9)18-10(21)7-16(2,3)4/h8H,7H2,1-6H3,(H,17,18,21).
What are the key properties of 3,3-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide?
3,3-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide has a molecular weight of 318.38 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide is sourced from PubChem (CID 16840692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).