3-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)urea

C20H30N4O3 — CID 126435001

IUPAC3-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)urea
SMILESCOCCN(Cc1ccccn1)C(=O)NC[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C20H30N4O3/c1-27-11-10-23(15-17-6-4-5-9-21-17)20(26)22-13-16-12-19(25)24(14-16)18-7-2-3-8-18/h4-6,9,16,18H,2-3,7-8,10-15H2,1H3,(H,22,26)/t16-/m0/s1
InChIKeyBPNSZUZNLHWKOM-INIZCTEOSA-N
MW374.49 g/mol
LogP2.03
Rot. Bonds8

About 3-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)urea

3-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)urea (PubChem CID 126435001) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)urea
PubChem CID126435001
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name3-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)urea
SMILESCOCCN(Cc1ccccn1)C(=O)NC[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C20H30N4O3/c1-27-11-10-23(15-17-6-4-5-9-21-17)20(26)22-13-16-12-19(25)24(14-16)18-7-2-3-8-18/h4-6,9,16,18H,2-3,7-8,10-15H2,1H3,(H,22,26)/t16-/m0/s1
InChIKeyBPNSZUZNLHWKOM-INIZCTEOSA-N
XLogP2.03
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)urea with MolForge

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Related Compounds

(2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide
CID 97205508
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55981038
1-cyclohexyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 17257395
(3S)-1-cyclopentyl-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 94181168
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61074717
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 60952650
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60559259
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
4-[2-methoxyethyl(pyridin-2-ylmethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993144
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-2-pyridinyl)benzamide
CID 126435573

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 3-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)urea (CID 126435001) is 3-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 3-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 3-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)urea is COCCN(Cc1ccccn1)C(=O)NC[C@@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 3-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)urea?
The InChIKey is BPNSZUZNLHWKOM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-27-11-10-23(15-17-6-4-5-9-21-17)20(26)22-13-16-12-19(25)24(14-16)18-7-2-3-8-18/h4-6,9,16,18H,2-3,7-8,10-15H2,1H3,(H,22,26)/t16-/m0/s1.
What are the key properties of 3-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)urea?
3-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)urea has a molecular weight of 374.49 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 126435001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).