1-(furan-2-ylmethyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-(pyridin-4-ylmethyl)urea

C17H20N4O3 — CID 122561606

IUPAC1-(furan-2-ylmethyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-(pyridin-4-ylmethyl)urea
SMILESCN1CCC(NC(=O)N(Cc2ccncc2)Cc2ccco2)C1=O
InChIInChI=1S/C17H20N4O3/c1-20-9-6-15(16(20)22)19-17(23)21(12-14-3-2-10-24-14)11-13-4-7-18-8-5-13/h2-5,7-8,10,15H,6,9,11-12H2,1H3,(H,19,23)
InChIKeySUFJKSBHIQBRAC-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.62
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-(pyridin-4-ylmethyl)urea

1-(furan-2-ylmethyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-(pyridin-4-ylmethyl)urea (PubChem CID 122561606) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-(pyridin-4-ylmethyl)urea
PubChem CID122561606
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-(furan-2-ylmethyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-(pyridin-4-ylmethyl)urea
SMILESCN1CCC(NC(=O)N(Cc2ccncc2)Cc2ccco2)C1=O
InChIInChI=1S/C17H20N4O3/c1-20-9-6-15(16(20)22)19-17(23)21(12-14-3-2-10-24-14)11-13-4-7-18-8-5-13/h2-5,7-8,10,15H,6,9,11-12H2,1H3,(H,19,23)
InChIKeySUFJKSBHIQBRAC-UHFFFAOYSA-N
XLogP1.62
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(furan-2-ylmethyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-(pyridin-4-ylmethyl)urea with MolForge

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Related Compounds

1-cyclohexyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-1-(pyridin-4-ylmethyl)urea
CID 125441499
4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025242
3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
CID 115617674
1-ethyl-1-(furan-2-ylmethyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94058653
3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-methylurea
CID 124592979
1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]-3-(2-oxoazepan-3-yl)urea
CID 71884581
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 78847716
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]pyridine-4-carboxamide
CID 3254720
5-acetyl-N-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 74250247
1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea
CID 71909131
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
trans-(1S,2S)-N-benzyl-N-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 94823542

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-(pyridin-4-ylmethyl)urea (CID 122561606) is 1-(furan-2-ylmethyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-(pyridin-4-ylmethyl)urea is CN1CCC(NC(=O)N(Cc2ccncc2)Cc2ccco2)C1=O.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-(pyridin-4-ylmethyl)urea?
The InChIKey is SUFJKSBHIQBRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-20-9-6-15(16(20)22)19-17(23)21(12-14-3-2-10-24-14)11-13-4-7-18-8-5-13/h2-5,7-8,10,15H,6,9,11-12H2,1H3,(H,19,23).
What are the key properties of 1-(furan-2-ylmethyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-(pyridin-4-ylmethyl)urea?
1-(furan-2-ylmethyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-(pyridin-4-ylmethyl)urea has a molecular weight of 328.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 122561606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).