1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea

C19H28N4O2 — CID 167837348

IUPAC1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea
SMILESCC(C)CCc1ccc(NC(=O)NC2CCN(C3CCC3)C2=O)nc1
InChIInChI=1S/C19H28N4O2/c1-13(2)6-7-14-8-9-17(20-12-14)22-19(25)21-16-10-11-23(18(16)24)15-4-3-5-15/h8-9,12-13,15-16H,3-7,10-11H2,1-2H3,(H2,20,21,22,25)
InChIKeyFNVRAKWERYLNKZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.95
Rot. Bonds6

About 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea

1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea (PubChem CID 167837348) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea
PubChem CID167837348
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea
SMILESCC(C)CCc1ccc(NC(=O)NC2CCN(C3CCC3)C2=O)nc1
InChIInChI=1S/C19H28N4O2/c1-13(2)6-7-14-8-9-17(20-12-14)22-19(25)21-16-10-11-23(18(16)24)15-4-3-5-15/h8-9,12-13,15-16H,3-7,10-11H2,1-2H3,(H2,20,21,22,25)
InChIKeyFNVRAKWERYLNKZ-UHFFFAOYSA-N
XLogP2.95
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea?
The IUPAC name of 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea (CID 167837348) is 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea?
The canonical SMILES for 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea is CC(C)CCc1ccc(NC(=O)NC2CCN(C3CCC3)C2=O)nc1.
What is the InChIKey of 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea?
The InChIKey is FNVRAKWERYLNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13(2)6-7-14-8-9-17(20-12-14)22-19(25)21-16-10-11-23(18(16)24)15-4-3-5-15/h8-9,12-13,15-16H,3-7,10-11H2,1-2H3,(H2,20,21,22,25).
What are the key properties of 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea?
1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea has a molecular weight of 344.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea is sourced from PubChem (CID 167837348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).