N-[2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl]-1-(difluoromethyl)cyclopentane-1-carboxamide

C14H16F2N4O3 — CID 126826168

IUPACN-[2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl]-1-(difluoromethyl)cyclopentane-1-carboxamide
SMILESN#Cc1cn(CCNC(=O)C2(C(F)F)CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H16F2N4O3/c15-11(16)14(3-1-2-4-14)12(22)18-5-6-20-8-9(7-17)10(21)19-13(20)23/h8,11H,1-6H2,(H,18,22)(H,19,21,23)
InChIKeyJXAKCVLOXVTERR-UHFFFAOYSA-N
MW326.30 g/mol
LogP0.35
Rot. Bonds5

About N-[2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl]-1-(difluoromethyl)cyclopentane-1-carboxamide

N-[2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl]-1-(difluoromethyl)cyclopentane-1-carboxamide (PubChem CID 126826168) has the molecular formula C14H16F2N4O3 and a molecular weight of 326.30 g/mol. Its IUPAC name is N-[2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl]-1-(difluoromethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl]-1-(difluoromethyl)cyclopentane-1-carboxamide
PubChem CID126826168
Molecular FormulaC14H16F2N4O3
Molecular Weight326.30 g/mol
Exact Mass326.12
IUPAC NameN-[2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl]-1-(difluoromethyl)cyclopentane-1-carboxamide
SMILESN#Cc1cn(CCNC(=O)C2(C(F)F)CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H16F2N4O3/c15-11(16)14(3-1-2-4-14)12(22)18-5-6-20-8-9(7-17)10(21)19-13(20)23/h8,11H,1-6H2,(H,18,22)(H,19,21,23)
InChIKeyJXAKCVLOXVTERR-UHFFFAOYSA-N
XLogP0.35
TPSA107.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl]-1-(difluoromethyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl]-1-(difluoromethyl)cyclopentane-1-carboxamide (CID 126826168) is N-[2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl]-1-(difluoromethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl]-1-(difluoromethyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl]-1-(difluoromethyl)cyclopentane-1-carboxamide is N#Cc1cn(CCNC(=O)C2(C(F)F)CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-[2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl]-1-(difluoromethyl)cyclopentane-1-carboxamide?
The InChIKey is JXAKCVLOXVTERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O3/c15-11(16)14(3-1-2-4-14)12(22)18-5-6-20-8-9(7-17)10(21)19-13(20)23/h8,11H,1-6H2,(H,18,22)(H,19,21,23).
What are the key properties of N-[2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl]-1-(difluoromethyl)cyclopentane-1-carboxamide?
N-[2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl]-1-(difluoromethyl)cyclopentane-1-carboxamide has a molecular weight of 326.30 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl]-1-(difluoromethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 126826168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).