1-(2-hydroxypentyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea

C12H16F3N3O3 — CID 111431494

IUPAC1-(2-hydroxypentyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
SMILESCCCC(O)CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C12H16F3N3O3/c1-2-3-8(19)6-17-11(21)18-9-4-7(12(13,14)15)5-16-10(9)20/h4-5,8,19H,2-3,6H2,1H3,(H,16,20)(H2,17,18,21)
InChIKeyVSIWVDVFZXGQNY-UHFFFAOYSA-N
MW307.27 g/mol
LogP1.68
Rot. Bonds5

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

1-(2-hydroxypentyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea (PubChem CID 111431494) has the molecular formula C12H16F3N3O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is 1-(2-hydroxypentyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxypentyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
PubChem CID111431494
Molecular FormulaC12H16F3N3O3
Molecular Weight307.27 g/mol
Exact Mass307.11
IUPAC Name1-(2-hydroxypentyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
SMILESCCCC(O)CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C12H16F3N3O3/c1-2-3-8(19)6-17-11(21)18-9-4-7(12(13,14)15)5-16-10(9)20/h4-5,8,19H,2-3,6H2,1H3,(H,16,20)(H2,17,18,21)
InChIKeyVSIWVDVFZXGQNY-UHFFFAOYSA-N
XLogP1.68
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 119399141
2-methyl-3-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride
CID 119399140
1-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 167832915
4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide
CID 138578414
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
4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoylamino]-5-phenylpentanoic acid
CID 122077457
1-[(1R)-1-(5-methylthiophen-2-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 95976952
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 111859176
2-[(3R)-3-ethylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 96523087
3-amino-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-phenylpropanamide
CID 119399129
1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 47492145

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypentyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The IUPAC name of 1-(2-hydroxypentyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea (CID 111431494) is 1-(2-hydroxypentyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea.
What is the SMILES notation for 1-(2-hydroxypentyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The canonical SMILES for 1-(2-hydroxypentyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea is CCCC(O)CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 1-(2-hydroxypentyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The InChIKey is VSIWVDVFZXGQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3/c1-2-3-8(19)6-17-11(21)18-9-4-7(12(13,14)15)5-16-10(9)20/h4-5,8,19H,2-3,6H2,1H3,(H,16,20)(H2,17,18,21).
What are the key properties of 1-(2-hydroxypentyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
1-(2-hydroxypentyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea has a molecular weight of 307.27 g/mol, XLogP of 1.68, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypentyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea is sourced from PubChem (CID 111431494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).