1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea

C20H24N4O3 — CID 97453287

IUPAC1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea
SMILESCCN1C[C@H](CN(C)C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1=O
InChIInChI=1S/C20H24N4O3/c1-3-24-14-15(11-19(24)25)13-23(2)20(26)22-16-6-8-17(9-7-16)27-18-5-4-10-21-12-18/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,22,26)/t15-/m0/s1
InChIKeyAFLLOTQFIIYECG-HNNXBMFYSA-N
MW368.44 g/mol
LogP3.21
Rot. Bonds6

About 1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea

1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea (PubChem CID 97453287) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea
PubChem CID97453287
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea
SMILESCCN1C[C@H](CN(C)C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1=O
InChIInChI=1S/C20H24N4O3/c1-3-24-14-15(11-19(24)25)13-23(2)20(26)22-16-6-8-17(9-7-16)27-18-5-4-10-21-12-18/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,22,26)/t15-/m0/s1
InChIKeyAFLLOTQFIIYECG-HNNXBMFYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea?
The IUPAC name of 1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea (CID 97453287) is 1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea.
What is the SMILES notation for 1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea?
The canonical SMILES for 1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea is CCN1C[C@H](CN(C)C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1=O.
What is the InChIKey of 1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea?
The InChIKey is AFLLOTQFIIYECG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-24-14-15(11-19(24)25)13-23(2)20(26)22-16-6-8-17(9-7-16)27-18-5-4-10-21-12-18/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,22,26)/t15-/m0/s1.
What are the key properties of 1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea?
1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea has a molecular weight of 368.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea is sourced from PubChem (CID 97453287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).