1-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea

C18H17F3N4O2 — CID 122246040

IUPAC1-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(NCc1cncc(N2CCCC2=O)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)13-3-5-14(6-4-13)24-17(27)23-10-12-8-15(11-22-9-12)25-7-1-2-16(25)26/h3-6,8-9,11H,1-2,7,10H2,(H2,23,24,27)
InChIKeyWETPPJQEEVRTGK-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.55
Rot. Bonds4

About 1-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea

1-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 122246040) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 1-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID122246040
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name1-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(NCc1cncc(N2CCCC2=O)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)13-3-5-14(6-4-13)24-17(27)23-10-12-8-15(11-22-9-12)25-7-1-2-16(25)26/h3-6,8-9,11H,1-2,7,10H2,(H2,23,24,27)
InChIKeyWETPPJQEEVRTGK-UHFFFAOYSA-N
XLogP3.55
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 134056865
1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 47032927
1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 4565553
1-(6-methoxy-3-pyridinyl)-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 51116438
1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169682
(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8967599
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8716542
1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55695718
1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 55740451
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55816777
1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea
CID 72909132
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]acetamide
CID 24618121

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 122246040) is 1-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(NCc1cncc(N2CCCC2=O)c1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is WETPPJQEEVRTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c19-18(20,21)13-3-5-14(6-4-13)24-17(27)23-10-12-8-15(11-22-9-12)25-7-1-2-16(25)26/h3-6,8-9,11H,1-2,7,10H2,(H2,23,24,27).
What are the key properties of 1-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 378.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 122246040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).