1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea

C20H24N4O3 — CID 118791683

IUPAC1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCOCC(c1ccccn1)N(C)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H24N4O3/c1-23(18(14-27-2)17-6-3-4-12-21-17)20(26)22-15-8-10-16(11-9-15)24-13-5-7-19(24)25/h3-4,6,8-12,18H,5,7,13-14H2,1-2H3,(H,22,26)
InChIKeyLTQNBEIIVCAHCI-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.06
Rot. Bonds6

About 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea

1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 118791683) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID118791683
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCOCC(c1ccccn1)N(C)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H24N4O3/c1-23(18(14-27-2)17-6-3-4-12-21-17)20(26)22-15-8-10-16(11-9-15)24-13-5-7-19(24)25/h3-4,6,8-12,18H,5,7,13-14H2,1-2H3,(H,22,26)
InChIKeyLTQNBEIIVCAHCI-UHFFFAOYSA-N
XLogP3.06
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea with MolForge

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Related Compounds

1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 86987743
2-(2-methoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716524
2-[methyl(2-phenoxyethyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8754909
2-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686423
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N'-(2-methoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679226
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283
3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 17397146
2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786075
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 55696103

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 118791683) is 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea is COCC(c1ccccn1)N(C)C(=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is LTQNBEIIVCAHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-23(18(14-27-2)17-6-3-4-12-21-17)20(26)22-15-8-10-16(11-9-15)24-13-5-7-19(24)25/h3-4,6,8-12,18H,5,7,13-14H2,1-2H3,(H,22,26).
What are the key properties of 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 368.44 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 118791683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).