N-[5-(2,5-dioxopyrrolidin-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide

C14H17FN4O5 — CID 20525065

IUPACN-[5-(2,5-dioxopyrrolidin-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C1CCC(=O)N1CCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C14H17FN4O5/c15-9-8-19(14(24)17-12(9)22)13(23)16-6-2-1-3-7-18-10(20)4-5-11(18)21/h8H,1-7H2,(H,16,23)(H,17,22,24)
InChIKeyXTMWRPSHCTUVLS-UHFFFAOYSA-N
MW340.31 g/mol
LogP-0.45
Rot. Bonds6

About N-[5-(2,5-dioxopyrrolidin-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide

N-[5-(2,5-dioxopyrrolidin-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 20525065) has the molecular formula C14H17FN4O5 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[5-(2,5-dioxopyrrolidin-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(2,5-dioxopyrrolidin-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
PubChem CID20525065
Molecular FormulaC14H17FN4O5
Molecular Weight340.31 g/mol
Exact Mass340.12
IUPAC NameN-[5-(2,5-dioxopyrrolidin-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C1CCC(=O)N1CCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C14H17FN4O5/c15-9-8-19(14(24)17-12(9)22)13(23)16-6-2-1-3-7-18-10(20)4-5-11(18)21/h8H,1-7H2,(H,16,23)(H,17,22,24)
InChIKeyXTMWRPSHCTUVLS-UHFFFAOYSA-N
XLogP-0.45
TPSA121.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dioxopyrrolidin-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-[5-(2,5-dioxopyrrolidin-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (CID 20525065) is N-[5-(2,5-dioxopyrrolidin-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-[5-(2,5-dioxopyrrolidin-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-[5-(2,5-dioxopyrrolidin-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is O=C1CCC(=O)N1CCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of N-[5-(2,5-dioxopyrrolidin-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is XTMWRPSHCTUVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O5/c15-9-8-19(14(24)17-12(9)22)13(23)16-6-2-1-3-7-18-10(20)4-5-11(18)21/h8H,1-7H2,(H,16,23)(H,17,22,24).
What are the key properties of N-[5-(2,5-dioxopyrrolidin-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
N-[5-(2,5-dioxopyrrolidin-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 340.31 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dioxopyrrolidin-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 20525065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).