1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea

C18H20N4O2 — CID 108876657

IUPAC1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea
SMILESCc1cccnc1NC(=O)NC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H20N4O2/c1-13-6-5-9-19-17(13)21-18(24)20-15-10-16(23)22(12-15)11-14-7-3-2-4-8-14/h2-9,15H,10-12H2,1H3,(H2,19,20,21,24)
InChIKeyYMSNNNUIDQYILT-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.31
Rot. Bonds4

About 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea

1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea (PubChem CID 108876657) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea
PubChem CID108876657
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea
SMILESCc1cccnc1NC(=O)NC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H20N4O2/c1-13-6-5-9-19-17(13)21-18(24)20-15-10-16(23)22(12-15)11-14-7-3-2-4-8-14/h2-9,15H,10-12H2,1H3,(H2,19,20,21,24)
InChIKeyYMSNNNUIDQYILT-UHFFFAOYSA-N
XLogP2.31
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea with MolForge

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Related Compounds

N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 108876378
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
CID 97275872
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea
CID 108876636
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-tert-butylurea
CID 108876426
1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea
CID 108876474
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,6-difluorophenyl)urea
CID 108876524
N-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide
CID 56826631
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
CID 95598501
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-chloro-2-methoxy-5-methylphenyl)urea
CID 108876656
1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea
CID 16801441
2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid
CID 108876522
methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate
CID 108876461

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea (CID 108876657) is 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea is Cc1cccnc1NC(=O)NC1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea?
The InChIKey is YMSNNNUIDQYILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-6-5-9-19-17(13)21-18(24)20-15-10-16(23)22(12-15)11-14-7-3-2-4-8-14/h2-9,15H,10-12H2,1H3,(H2,19,20,21,24).
What are the key properties of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea?
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea has a molecular weight of 324.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108876657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).