1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea

C21H22N4O4 — CID 51114936

IUPAC1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
SMILESCN1C(=O)c2ccc(NC(=O)NCc3cccnc3OC3CCCC3)cc2C1=O
InChIInChI=1S/C21H22N4O4/c1-25-19(26)16-9-8-14(11-17(16)20(25)27)24-21(28)23-12-13-5-4-10-22-18(13)29-15-6-2-3-7-15/h4-5,8-11,15H,2-3,6-7,12H2,1H3,(H2,23,24,28)
InChIKeyUXCVCHVYXKFESM-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.95
Rot. Bonds5

About 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea

1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea (PubChem CID 51114936) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea.

Molecular Properties

Compound Name1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
PubChem CID51114936
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
SMILESCN1C(=O)c2ccc(NC(=O)NCc3cccnc3OC3CCCC3)cc2C1=O
InChIInChI=1S/C21H22N4O4/c1-25-19(26)16-9-8-14(11-17(16)20(25)27)24-21(28)23-12-13-5-4-10-22-18(13)29-15-6-2-3-7-15/h4-5,8-11,15H,2-3,6-7,12H2,1H3,(H2,23,24,28)
InChIKeyUXCVCHVYXKFESM-UHFFFAOYSA-N
XLogP2.95
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea
CID 24664385
(2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 51942830
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[4-(dimethylamino)-2-methylphenyl]urea
CID 55704797
(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide
CID 124742659
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 51084342
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide
CID 55794578
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 38282104
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 127774583
1-ethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 24664343
N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55659721
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 36604681
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide
CID 47029217

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea?
The IUPAC name of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea (CID 51114936) is 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea.
What is the SMILES notation for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea?
The canonical SMILES for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea is CN1C(=O)c2ccc(NC(=O)NCc3cccnc3OC3CCCC3)cc2C1=O.
What is the InChIKey of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea?
The InChIKey is UXCVCHVYXKFESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-25-19(26)16-9-8-14(11-17(16)20(25)27)24-21(28)23-12-13-5-4-10-22-18(13)29-15-6-2-3-7-15/h4-5,8-11,15H,2-3,6-7,12H2,1H3,(H2,23,24,28).
What are the key properties of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea?
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea has a molecular weight of 394.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea is sourced from PubChem (CID 51114936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).