1-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-3-(1-pyridin-4-ylethyl)urea

C19H22N4O2 — CID 71990682

IUPAC1-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-3-(1-pyridin-4-ylethyl)urea
SMILESCC(NC(=O)NC1CC(C)N(c2ccccc2)C1=O)c1ccncc1
InChIInChI=1S/C19H22N4O2/c1-13-12-17(18(24)23(13)16-6-4-3-5-7-16)22-19(25)21-14(2)15-8-10-20-11-9-15/h3-11,13-14,17H,12H2,1-2H3,(H2,21,22,25)
InChIKeyCZRHCZBYJJBXGU-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.64
Rot. Bonds4

About 1-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-3-(1-pyridin-4-ylethyl)urea

1-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-3-(1-pyridin-4-ylethyl)urea (PubChem CID 71990682) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-3-(1-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-3-(1-pyridin-4-ylethyl)urea
PubChem CID71990682
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-3-(1-pyridin-4-ylethyl)urea
SMILESCC(NC(=O)NC1CC(C)N(c2ccccc2)C1=O)c1ccncc1
InChIInChI=1S/C19H22N4O2/c1-13-12-17(18(24)23(13)16-6-4-3-5-7-16)22-19(25)21-14(2)15-8-10-20-11-9-15/h3-11,13-14,17H,12H2,1-2H3,(H2,21,22,25)
InChIKeyCZRHCZBYJJBXGU-UHFFFAOYSA-N
XLogP2.64
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-3-(1-pyridin-4-ylethyl)urea?
The IUPAC name of 1-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-3-(1-pyridin-4-ylethyl)urea (CID 71990682) is 1-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-3-(1-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-3-(1-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-3-(1-pyridin-4-ylethyl)urea is CC(NC(=O)NC1CC(C)N(c2ccccc2)C1=O)c1ccncc1.
What is the InChIKey of 1-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-3-(1-pyridin-4-ylethyl)urea?
The InChIKey is CZRHCZBYJJBXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-12-17(18(24)23(13)16-6-4-3-5-7-16)22-19(25)21-14(2)15-8-10-20-11-9-15/h3-11,13-14,17H,12H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-3-(1-pyridin-4-ylethyl)urea?
1-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-3-(1-pyridin-4-ylethyl)urea has a molecular weight of 338.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-3-(1-pyridin-4-ylethyl)urea is sourced from PubChem (CID 71990682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).