1-(2,2-difluoroethyl)-3-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-1-propan-2-ylurea

C14H21F2N3O3 — CID 71914844

IUPAC1-(2,2-difluoroethyl)-3-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-1-propan-2-ylurea
SMILESCOCCn1cc(NC(=O)N(CC(F)F)C(C)C)ccc1=O
InChIInChI=1S/C14H21F2N3O3/c1-10(2)19(9-12(15)16)14(21)17-11-4-5-13(20)18(8-11)6-7-22-3/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,17,21)
InChIKeyURFZIPSUMDUZDB-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.00
Rot. Bonds7

About 1-(2,2-difluoroethyl)-3-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-1-propan-2-ylurea

1-(2,2-difluoroethyl)-3-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-1-propan-2-ylurea (PubChem CID 71914844) has the molecular formula C14H21F2N3O3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-1-propan-2-ylurea
PubChem CID71914844
Molecular FormulaC14H21F2N3O3
Molecular Weight317.34 g/mol
Exact Mass317.16
IUPAC Name1-(2,2-difluoroethyl)-3-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-1-propan-2-ylurea
SMILESCOCCn1cc(NC(=O)N(CC(F)F)C(C)C)ccc1=O
InChIInChI=1S/C14H21F2N3O3/c1-10(2)19(9-12(15)16)14(21)17-11-4-5-13(20)18(8-11)6-7-22-3/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,17,21)
InChIKeyURFZIPSUMDUZDB-UHFFFAOYSA-N
XLogP2.00
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-1-propan-2-ylurea?
The IUPAC name of 1-(2,2-difluoroethyl)-3-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-1-propan-2-ylurea (CID 71914844) is 1-(2,2-difluoroethyl)-3-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-1-propan-2-ylurea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-1-propan-2-ylurea?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-1-propan-2-ylurea is COCCn1cc(NC(=O)N(CC(F)F)C(C)C)ccc1=O.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-1-propan-2-ylurea?
The InChIKey is URFZIPSUMDUZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O3/c1-10(2)19(9-12(15)16)14(21)17-11-4-5-13(20)18(8-11)6-7-22-3/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,17,21).
What are the key properties of 1-(2,2-difluoroethyl)-3-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-1-propan-2-ylurea?
1-(2,2-difluoroethyl)-3-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-1-propan-2-ylurea has a molecular weight of 317.34 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-1-propan-2-ylurea is sourced from PubChem (CID 71914844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).