1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(1-ethyl-2-oxo-3-pyridinyl)urea

C14H20F2N4O2 — CID 138025513

IUPAC1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(1-ethyl-2-oxo-3-pyridinyl)urea
SMILESCCn1cccc(NC(=O)NC2CCN(CC(F)F)C2)c1=O
InChIInChI=1S/C14H20F2N4O2/c1-2-20-6-3-4-11(13(20)21)18-14(22)17-10-5-7-19(8-10)9-12(15)16/h3-4,6,10,12H,2,5,7-9H2,1H3,(H2,17,18,22)
InChIKeyMVRVARPTXAMVSY-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.33
Rot. Bonds5

About 1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(1-ethyl-2-oxo-3-pyridinyl)urea

1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(1-ethyl-2-oxo-3-pyridinyl)urea (PubChem CID 138025513) has the molecular formula C14H20F2N4O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(1-ethyl-2-oxo-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(1-ethyl-2-oxo-3-pyridinyl)urea
PubChem CID138025513
Molecular FormulaC14H20F2N4O2
Molecular Weight314.34 g/mol
Exact Mass314.16
IUPAC Name1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(1-ethyl-2-oxo-3-pyridinyl)urea
SMILESCCn1cccc(NC(=O)NC2CCN(CC(F)F)C2)c1=O
InChIInChI=1S/C14H20F2N4O2/c1-2-20-6-3-4-11(13(20)21)18-14(22)17-10-5-7-19(8-10)9-12(15)16/h3-4,6,10,12H,2,5,7-9H2,1H3,(H2,17,18,22)
InChIKeyMVRVARPTXAMVSY-UHFFFAOYSA-N
XLogP1.33
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(1-ethyl-2-oxo-3-pyridinyl)urea?
The IUPAC name of 1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(1-ethyl-2-oxo-3-pyridinyl)urea (CID 138025513) is 1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(1-ethyl-2-oxo-3-pyridinyl)urea.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(1-ethyl-2-oxo-3-pyridinyl)urea?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(1-ethyl-2-oxo-3-pyridinyl)urea is CCn1cccc(NC(=O)NC2CCN(CC(F)F)C2)c1=O.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(1-ethyl-2-oxo-3-pyridinyl)urea?
The InChIKey is MVRVARPTXAMVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O2/c1-2-20-6-3-4-11(13(20)21)18-14(22)17-10-5-7-19(8-10)9-12(15)16/h3-4,6,10,12H,2,5,7-9H2,1H3,(H2,17,18,22).
What are the key properties of 1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(1-ethyl-2-oxo-3-pyridinyl)urea?
1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(1-ethyl-2-oxo-3-pyridinyl)urea has a molecular weight of 314.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(1-ethyl-2-oxo-3-pyridinyl)urea is sourced from PubChem (CID 138025513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).