1-ethyl-1-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea

C16H16F3N3O — CID 59011783

IUPAC1-ethyl-1-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCCN(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(C)nc1
InChIInChI=1S/C16H16F3N3O/c1-3-22(14-9-4-11(2)20-10-14)15(23)21-13-7-5-12(6-8-13)16(17,18)19/h4-10H,3H2,1-2H3,(H,21,23)
InChIKeyNQDNATXIRHXICR-UHFFFAOYSA-N
MW323.32 g/mol
LogP4.47
Rot. Bonds3

About 1-ethyl-1-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea

1-ethyl-1-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 59011783) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 1-ethyl-1-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID59011783
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name1-ethyl-1-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCCN(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(C)nc1
InChIInChI=1S/C16H16F3N3O/c1-3-22(14-9-4-11(2)20-10-14)15(23)21-13-7-5-12(6-8-13)16(17,18)19/h4-10H,3H2,1-2H3,(H,21,23)
InChIKeyNQDNATXIRHXICR-UHFFFAOYSA-N
XLogP4.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3346401
3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea
CID 108884791
6-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 129133333
3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea
CID 106936437
1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 51102226
N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 176738854
2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid
CID 43318418
N-[4-(diethylamino)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 109009742
1-(1-cyanopropan-2-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 63224865
2-methyl-5-(trifluoromethyl)pyridine
CID 18361873
1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]urea
CID 162617787
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-ethyl-1-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 59011783) is 1-ethyl-1-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-ethyl-1-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-ethyl-1-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea is CCN(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(C)nc1.
What is the InChIKey of 1-ethyl-1-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is NQDNATXIRHXICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-3-22(14-9-4-11(2)20-10-14)15(23)21-13-7-5-12(6-8-13)16(17,18)19/h4-10H,3H2,1-2H3,(H,21,23).
What are the key properties of 1-ethyl-1-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-ethyl-1-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 323.32 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 59011783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).