3-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide

C19H22N4O4 — CID 72937568

IUPAC3-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
SMILESCc1cn(CC(=O)N2CCC(Cc3cccc(C(N)=O)c3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C19H22N4O4/c1-12-9-23(19(27)21-18(12)26)11-16(24)22-6-5-14(10-22)7-13-3-2-4-15(8-13)17(20)25/h2-4,8-9,14H,5-7,10-11H2,1H3,(H2,20,25)(H,21,26,27)
InChIKeyPTQSZUREQMKHIO-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.04
Rot. Bonds5

About 3-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide

3-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide (PubChem CID 72937568) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
PubChem CID72937568
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name3-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
SMILESCc1cn(CC(=O)N2CCC(Cc3cccc(C(N)=O)c3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C19H22N4O4/c1-12-9-23(19(27)21-18(12)26)11-16(24)22-6-5-14(10-22)7-13-3-2-4-15(8-13)17(20)25/h2-4,8-9,14H,5-7,10-11H2,1H3,(H2,20,25)(H,21,26,27)
InChIKeyPTQSZUREQMKHIO-UHFFFAOYSA-N
XLogP0.04
TPSA118.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[[1-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 56897661
N-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
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3-[(1-butanoylpyrrolidin-3-yl)methyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide (CID 72937568) is 3-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide is Cc1cn(CC(=O)N2CCC(Cc3cccc(C(N)=O)c3)C2)c(=O)[nH]c1=O.
What is the InChIKey of 3-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is PTQSZUREQMKHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-12-9-23(19(27)21-18(12)26)11-16(24)22-6-5-14(10-22)7-13-3-2-4-15(8-13)17(20)25/h2-4,8-9,14H,5-7,10-11H2,1H3,(H2,20,25)(H,21,26,27).
What are the key properties of 3-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide?
3-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 370.41 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 72937568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).