1-benzyl-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]urea

C22H28N4O2 — CID 119070210

IUPAC1-benzyl-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]urea
SMILESCCN1CC(CNC(=O)N(Cc2ccccc2)Cc2cccc(C)n2)CC1=O
InChIInChI=1S/C22H28N4O2/c1-3-25-15-19(12-21(25)27)13-23-22(28)26(14-18-9-5-4-6-10-18)16-20-11-7-8-17(2)24-20/h4-11,19H,3,12-16H2,1-2H3,(H,23,28)
InChIKeyCSOVTMUTXSFBAN-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.97
Rot. Bonds7

About 1-benzyl-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]urea

1-benzyl-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]urea (PubChem CID 119070210) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-benzyl-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]urea
PubChem CID119070210
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-benzyl-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]urea
SMILESCCN1CC(CNC(=O)N(Cc2ccccc2)Cc2cccc(C)n2)CC1=O
InChIInChI=1S/C22H28N4O2/c1-3-25-15-19(12-21(25)27)13-23-22(28)26(14-18-9-5-4-6-10-18)16-20-11-7-8-17(2)24-20/h4-11,19H,3,12-16H2,1-2H3,(H,23,28)
InChIKeyCSOVTMUTXSFBAN-UHFFFAOYSA-N
XLogP2.97
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-benzyl-1-[(6-methyl-2-pyridinyl)methyl]-3-(3-methylsulfanylpropyl)urea
CID 119073642
1,1-dibenzyl-3-(cyclohexylmethyl)urea
CID 108902903
1-benzyl-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 146093138
1-benzyl-3-(cyclopentylmethyl)-1-ethylurea
CID 108902577
1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 115686651
(2R,3R)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide
CID 97332672
(2S,3S)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide
CID 97332675
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16919255
N-benzyl-1-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide
CID 46957288
N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110737035

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]urea?
The IUPAC name of 1-benzyl-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]urea (CID 119070210) is 1-benzyl-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]urea?
The canonical SMILES for 1-benzyl-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]urea is CCN1CC(CNC(=O)N(Cc2ccccc2)Cc2cccc(C)n2)CC1=O.
What is the InChIKey of 1-benzyl-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]urea?
The InChIKey is CSOVTMUTXSFBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-3-25-15-19(12-21(25)27)13-23-22(28)26(14-18-9-5-4-6-10-18)16-20-11-7-8-17(2)24-20/h4-11,19H,3,12-16H2,1-2H3,(H,23,28).
What are the key properties of 1-benzyl-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]urea?
1-benzyl-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]urea has a molecular weight of 380.49 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]urea is sourced from PubChem (CID 119070210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).