1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea

C13H18F3N3O4 — CID 47492145

IUPAC1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
SMILESCOCCN(CCOC)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C13H18F3N3O4/c1-22-5-3-19(4-6-23-2)12(21)18-10-7-9(13(14,15)16)8-17-11(10)20/h7-8H,3-6H2,1-2H3,(H,17,20)(H,18,21)
InChIKeySNBQLIOCUWPNEI-UHFFFAOYSA-N
MW337.30 g/mol
LogP1.52
Rot. Bonds7

About 1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea

1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea (PubChem CID 47492145) has the molecular formula C13H18F3N3O4 and a molecular weight of 337.30 g/mol. Its IUPAC name is 1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea.

Molecular Properties

Compound Name1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
PubChem CID47492145
Molecular FormulaC13H18F3N3O4
Molecular Weight337.30 g/mol
Exact Mass337.12
IUPAC Name1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
SMILESCOCCN(CCOC)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C13H18F3N3O4/c1-22-5-3-19(4-6-23-2)12(21)18-10-7-9(13(14,15)16)8-17-11(10)20/h7-8H,3-6H2,1-2H3,(H,17,20)(H,18,21)
InChIKeySNBQLIOCUWPNEI-UHFFFAOYSA-N
XLogP1.52
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 111859176
2-methyl-3-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 119399141
1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 47492346
2-methyl-3-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride
CID 119399140
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 78889476
5-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-pyrazole-3-carboxamide
CID 78902755
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropanecarboxamide
CID 47137245
2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 119399137
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(trifluoromethoxy)benzamide
CID 55488373
4-methoxy-N-[4-oxo-4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butyl]benzamide
CID 55794854
1-(2-hydroxypentyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 111431494
2-methoxy-N-[3-methyl-1-oxo-1-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butan-2-yl]benzamide
CID 56521557

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The IUPAC name of 1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea (CID 47492145) is 1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea.
What is the SMILES notation for 1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The canonical SMILES for 1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea is COCCN(CCOC)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The InChIKey is SNBQLIOCUWPNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O4/c1-22-5-3-19(4-6-23-2)12(21)18-10-7-9(13(14,15)16)8-17-11(10)20/h7-8H,3-6H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea has a molecular weight of 337.30 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea is sourced from PubChem (CID 47492145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).