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

C14H17FN4O5 — CID 54505583

IUPACN-[5-(2,5-dihydroxypyrrol-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NCCCCCn1c(O)ccc1O)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/h4-5,8,20-21H,1-3,6-7H2,(H,16,23)(H,17,22,24)
InChIKeyYFKYJQJAXJOGDH-UHFFFAOYSA-N
MW340.31 g/mol
LogP0.32
Rot. Bonds6

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

N-[5-(2,5-dihydroxypyrrol-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 54505583) has the molecular formula C14H17FN4O5 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[5-(2,5-dihydroxypyrrol-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(2,5-dihydroxypyrrol-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
PubChem CID54505583
Molecular FormulaC14H17FN4O5
Molecular Weight340.31 g/mol
Exact Mass340.12
IUPAC NameN-[5-(2,5-dihydroxypyrrol-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NCCCCCn1c(O)ccc1O)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/h4-5,8,20-21H,1-3,6-7H2,(H,16,23)(H,17,22,24)
InChIKeyYFKYJQJAXJOGDH-UHFFFAOYSA-N
XLogP0.32
TPSA129.35 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dihydroxypyrrol-1-yl) 4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanoate
CID 90873769
(2,5-Dihydroxypyrrol-1-yl) 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate
CID 91535317
(2,5-Dihydroxypyrrol-1-yl) 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
CID 123881721
(2,5-Dihydroxypyrrol-1-yl) 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanoate
CID 123963877
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]prop-2-enamide
CID 53737679
N-[(2,5-dihydroxypyrrol-1-yl)methyl]-2-iodoacetamide
CID 57219028
N-[6-[(2,5-dihydroxypyrrole-1-carbonyl)amino]hexyl]-2,5-dihydroxypyrrole-1-carboxamide
CID 90715457
7-(2,5-Dihydroxypyrrol-1-yl)azepan-2-one
CID 91109205
1-[(2,5-Dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-dione
CID 91523301
4-(2,5-dihydroxypyrrol-1-yl)-N-[2,2-dimethylpropyl(methylcarbamoyl)carbamoyl]-N-(3-methylbutyl)butanamide
CID 91616517

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dihydroxypyrrol-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-[5-(2,5-dihydroxypyrrol-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (CID 54505583) is N-[5-(2,5-dihydroxypyrrol-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-[5-(2,5-dihydroxypyrrol-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-[5-(2,5-dihydroxypyrrol-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is O=C(NCCCCCn1c(O)ccc1O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of N-[5-(2,5-dihydroxypyrrol-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is YFKYJQJAXJOGDH-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/h4-5,8,20-21H,1-3,6-7H2,(H,16,23)(H,17,22,24).
What are the key properties of N-[5-(2,5-dihydroxypyrrol-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
N-[5-(2,5-dihydroxypyrrol-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dihydroxypyrrol-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 54505583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).