3-[(5-oxopyrrolidin-2-yl)methyl]-1-pyridin-2-yl-1-(thiophen-2-ylmethyl)urea

C16H18N4O2S — CID 75424901

IUPAC3-[(5-oxopyrrolidin-2-yl)methyl]-1-pyridin-2-yl-1-(thiophen-2-ylmethyl)urea
SMILESO=C1CCC(CNC(=O)N(Cc2cccs2)c2ccccn2)N1
InChIInChI=1S/C16H18N4O2S/c21-15-7-6-12(19-15)10-18-16(22)20(11-13-4-3-9-23-13)14-5-1-2-8-17-14/h1-5,8-9,12H,6-7,10-11H2,(H,18,22)(H,19,21)
InChIKeyBWPNTLMEOXNELS-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.14
Rot. Bonds5

About 3-[(5-oxopyrrolidin-2-yl)methyl]-1-pyridin-2-yl-1-(thiophen-2-ylmethyl)urea

3-[(5-oxopyrrolidin-2-yl)methyl]-1-pyridin-2-yl-1-(thiophen-2-ylmethyl)urea (PubChem CID 75424901) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-[(5-oxopyrrolidin-2-yl)methyl]-1-pyridin-2-yl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[(5-oxopyrrolidin-2-yl)methyl]-1-pyridin-2-yl-1-(thiophen-2-ylmethyl)urea
PubChem CID75424901
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name3-[(5-oxopyrrolidin-2-yl)methyl]-1-pyridin-2-yl-1-(thiophen-2-ylmethyl)urea
SMILESO=C1CCC(CNC(=O)N(Cc2cccs2)c2ccccn2)N1
InChIInChI=1S/C16H18N4O2S/c21-15-7-6-12(19-15)10-18-16(22)20(11-13-4-3-9-23-13)14-5-1-2-8-17-14/h1-5,8-9,12H,6-7,10-11H2,(H,18,22)(H,19,21)
InChIKeyBWPNTLMEOXNELS-UHFFFAOYSA-N
XLogP2.14
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 17012481
1-pyridin-2-yl-1-(thiophen-2-ylmethyl)hydrazine
CID 70449715
2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 17012479
2-(4-methylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 67510388
3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 104743679
5-oxo-N-(pyridin-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56730999
potassium 2-[2-[(2S)-5-oxopyrrolidin-2-yl]ethylcarbamoylamino]-3-thiophen-2-ylpropanoate
CID 167972903
N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 90611064
N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine chloride
CID 45114124
N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 7012216
1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125825
(2R)-N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 7014031

Frequently Asked Questions

What is the IUPAC name of 3-[(5-oxopyrrolidin-2-yl)methyl]-1-pyridin-2-yl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-[(5-oxopyrrolidin-2-yl)methyl]-1-pyridin-2-yl-1-(thiophen-2-ylmethyl)urea (CID 75424901) is 3-[(5-oxopyrrolidin-2-yl)methyl]-1-pyridin-2-yl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-[(5-oxopyrrolidin-2-yl)methyl]-1-pyridin-2-yl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-[(5-oxopyrrolidin-2-yl)methyl]-1-pyridin-2-yl-1-(thiophen-2-ylmethyl)urea is O=C1CCC(CNC(=O)N(Cc2cccs2)c2ccccn2)N1.
What is the InChIKey of 3-[(5-oxopyrrolidin-2-yl)methyl]-1-pyridin-2-yl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is BWPNTLMEOXNELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c21-15-7-6-12(19-15)10-18-16(22)20(11-13-4-3-9-23-13)14-5-1-2-8-17-14/h1-5,8-9,12H,6-7,10-11H2,(H,18,22)(H,19,21).
What are the key properties of 3-[(5-oxopyrrolidin-2-yl)methyl]-1-pyridin-2-yl-1-(thiophen-2-ylmethyl)urea?
3-[(5-oxopyrrolidin-2-yl)methyl]-1-pyridin-2-yl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 330.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-oxopyrrolidin-2-yl)methyl]-1-pyridin-2-yl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 75424901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).