1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea

C16H21N3O3 — CID 97330579

IUPAC1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea
SMILESO=C(NCc1ccnc(O[C@H]2CCOC2)c1)NC1CC=CC1
InChIInChI=1S/C16H21N3O3/c20-16(19-13-3-1-2-4-13)18-10-12-5-7-17-15(9-12)22-14-6-8-21-11-14/h1-2,5,7,9,13-14H,3-4,6,8,10-11H2,(H2,18,19,20)/t14-/m0/s1
InChIKeyNXLNZUUOKMDTRZ-AWEZNQCLSA-N
MW303.36 g/mol
LogP1.77
Rot. Bonds5

About 1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea

1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea (PubChem CID 97330579) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea
PubChem CID97330579
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea
SMILESO=C(NCc1ccnc(O[C@H]2CCOC2)c1)NC1CC=CC1
InChIInChI=1S/C16H21N3O3/c20-16(19-13-3-1-2-4-13)18-10-12-5-7-17-15(9-12)22-14-6-8-21-11-14/h1-2,5,7,9,13-14H,3-4,6,8,10-11H2,(H2,18,19,20)/t14-/m0/s1
InChIKeyNXLNZUUOKMDTRZ-AWEZNQCLSA-N
XLogP1.77
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea with MolForge

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Related Compounds

N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine
CID 63558300
2-(furan-3-yl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
CID 126769239
2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]propan-1-amine
CID 55212360
2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977266
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(2S,3R)-2-cyclopropyloxolan-3-yl]urea
CID 124874996
4-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122002138
(3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine
CID 97108645
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 129381997
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1-propan-2-ylpiperidin-4-amine
CID 86786908
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237

Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea?
The IUPAC name of 1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea (CID 97330579) is 1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea.
What is the SMILES notation for 1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea?
The canonical SMILES for 1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea is O=C(NCc1ccnc(O[C@H]2CCOC2)c1)NC1CC=CC1.
What is the InChIKey of 1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea?
The InChIKey is NXLNZUUOKMDTRZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-16(19-13-3-1-2-4-13)18-10-12-5-7-17-15(9-12)22-14-6-8-21-11-14/h1-2,5,7,9,13-14H,3-4,6,8,10-11H2,(H2,18,19,20)/t14-/m0/s1.
What are the key properties of 1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea?
1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea has a molecular weight of 303.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea is sourced from PubChem (CID 97330579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).