5-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]pentanamide

C17H21N3O3 — CID 24764256

IUPAC5-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]pentanamide
SMILESCc1cn(Cc2ccc(CCCCC(N)=O)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C17H21N3O3/c1-12-10-20(17(23)19-16(12)22)11-14-8-6-13(7-9-14)4-2-3-5-15(18)21/h6-10H,2-5,11H2,1H3,(H2,18,21)(H,19,22,23)
InChIKeyBRDBMYGTVZPMJF-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.09
Rot. Bonds7

About 5-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]pentanamide

5-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]pentanamide (PubChem CID 24764256) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]pentanamide.

Molecular Properties

Compound Name5-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]pentanamide
PubChem CID24764256
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name5-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]pentanamide
SMILESCc1cn(Cc2ccc(CCCCC(N)=O)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C17H21N3O3/c1-12-10-20(17(23)19-16(12)22)11-14-8-6-13(7-9-14)4-2-3-5-15(18)21/h6-10H,2-5,11H2,1H3,(H2,18,21)(H,19,22,23)
InChIKeyBRDBMYGTVZPMJF-UHFFFAOYSA-N
XLogP1.09
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]pentanamide?
The IUPAC name of 5-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]pentanamide (CID 24764256) is 5-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]pentanamide.
What is the SMILES notation for 5-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]pentanamide?
The canonical SMILES for 5-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]pentanamide is Cc1cn(Cc2ccc(CCCCC(N)=O)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]pentanamide?
The InChIKey is BRDBMYGTVZPMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-10-20(17(23)19-16(12)22)11-14-8-6-13(7-9-14)4-2-3-5-15(18)21/h6-10H,2-5,11H2,1H3,(H2,18,21)(H,19,22,23).
What are the key properties of 5-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]pentanamide?
5-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]pentanamide has a molecular weight of 315.37 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]pentanamide is sourced from PubChem (CID 24764256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).