N-methyl-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(2-oxoazetidin-1-yl)butanamide

C13H18N4O4 — CID 10851315

IUPACN-methyl-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(2-oxoazetidin-1-yl)butanamide
SMILESCNC(=O)C(CCn1cc(C)c(=O)[nH]c1=O)N1CCC1=O
InChIInChI=1S/C13H18N4O4/c1-8-7-16(13(21)15-11(8)19)5-3-9(12(20)14-2)17-6-4-10(17)18/h7,9H,3-6H2,1-2H3,(H,14,20)(H,15,19,21)
InChIKeyCMMGEGMPLTVKKP-UHFFFAOYSA-N
MW294.31 g/mol
LogP-1.42
Rot. Bonds5

About N-methyl-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(2-oxoazetidin-1-yl)butanamide

N-methyl-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(2-oxoazetidin-1-yl)butanamide (PubChem CID 10851315) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-methyl-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(2-oxoazetidin-1-yl)butanamide.

Molecular Properties

Compound NameN-methyl-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(2-oxoazetidin-1-yl)butanamide
PubChem CID10851315
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC NameN-methyl-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(2-oxoazetidin-1-yl)butanamide
SMILESCNC(=O)C(CCn1cc(C)c(=O)[nH]c1=O)N1CCC1=O
InChIInChI=1S/C13H18N4O4/c1-8-7-16(13(21)15-11(8)19)5-3-9(12(20)14-2)17-6-4-10(17)18/h7,9H,3-6H2,1-2H3,(H,14,20)(H,15,19,21)
InChIKeyCMMGEGMPLTVKKP-UHFFFAOYSA-N
XLogP-1.42
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(2-oxoazetidin-1-yl)butanamide?
The IUPAC name of N-methyl-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(2-oxoazetidin-1-yl)butanamide (CID 10851315) is N-methyl-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(2-oxoazetidin-1-yl)butanamide.
What is the SMILES notation for N-methyl-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(2-oxoazetidin-1-yl)butanamide?
The canonical SMILES for N-methyl-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(2-oxoazetidin-1-yl)butanamide is CNC(=O)C(CCn1cc(C)c(=O)[nH]c1=O)N1CCC1=O.
What is the InChIKey of N-methyl-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(2-oxoazetidin-1-yl)butanamide?
The InChIKey is CMMGEGMPLTVKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-8-7-16(13(21)15-11(8)19)5-3-9(12(20)14-2)17-6-4-10(17)18/h7,9H,3-6H2,1-2H3,(H,14,20)(H,15,19,21).
What are the key properties of N-methyl-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(2-oxoazetidin-1-yl)butanamide?
N-methyl-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(2-oxoazetidin-1-yl)butanamide has a molecular weight of 294.31 g/mol, XLogP of -1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(2-oxoazetidin-1-yl)butanamide is sourced from PubChem (CID 10851315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).