1-methyl-3-[2-(oxolan-3-yloxy)-4-pyridinyl]-1-phenylurea

C17H19N3O3 — CID 138004617

IUPAC1-methyl-3-[2-(oxolan-3-yloxy)-4-pyridinyl]-1-phenylurea
SMILESCN(C(=O)Nc1ccnc(OC2CCOC2)c1)c1ccccc1
InChIInChI=1S/C17H19N3O3/c1-20(14-5-3-2-4-6-14)17(21)19-13-7-9-18-16(11-13)23-15-8-10-22-12-15/h2-7,9,11,15H,8,10,12H2,1H3,(H,18,19,21)
InChIKeyHJPPETWCVAGEDJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.92
Rot. Bonds4

About 1-methyl-3-[2-(oxolan-3-yloxy)-4-pyridinyl]-1-phenylurea

1-methyl-3-[2-(oxolan-3-yloxy)-4-pyridinyl]-1-phenylurea (PubChem CID 138004617) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-methyl-3-[2-(oxolan-3-yloxy)-4-pyridinyl]-1-phenylurea.

Molecular Properties

Compound Name1-methyl-3-[2-(oxolan-3-yloxy)-4-pyridinyl]-1-phenylurea
PubChem CID138004617
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-methyl-3-[2-(oxolan-3-yloxy)-4-pyridinyl]-1-phenylurea
SMILESCN(C(=O)Nc1ccnc(OC2CCOC2)c1)c1ccccc1
InChIInChI=1S/C17H19N3O3/c1-20(14-5-3-2-4-6-14)17(21)19-13-7-9-18-16(11-13)23-15-8-10-22-12-15/h2-7,9,11,15H,8,10,12H2,1H3,(H,18,19,21)
InChIKeyHJPPETWCVAGEDJ-UHFFFAOYSA-N
XLogP2.92
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-1-methyl-3-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]urea
CID 99643155
N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]cyclobutanecarboxamide
CID 97329801
2,5-dimethyl-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]furan-3-carboxamide
CID 97250434
(2E,4E)-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]hexa-2,4-dienamide
CID 97250432
(2E,4E)-N-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]hexa-2,4-dienamide
CID 97250433
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815245
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
2-(3-fluorophenyl)-N-[2-(oxolan-3-yloxy)-4-pyridinyl]acetamide
CID 84594953
3-(2-chloro-4-pyridinyl)-1-methyl-1-phenylurea
CID 134114152
2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide
CID 124616240
(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120525990

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(oxolan-3-yloxy)-4-pyridinyl]-1-phenylurea?
The IUPAC name of 1-methyl-3-[2-(oxolan-3-yloxy)-4-pyridinyl]-1-phenylurea (CID 138004617) is 1-methyl-3-[2-(oxolan-3-yloxy)-4-pyridinyl]-1-phenylurea.
What is the SMILES notation for 1-methyl-3-[2-(oxolan-3-yloxy)-4-pyridinyl]-1-phenylurea?
The canonical SMILES for 1-methyl-3-[2-(oxolan-3-yloxy)-4-pyridinyl]-1-phenylurea is CN(C(=O)Nc1ccnc(OC2CCOC2)c1)c1ccccc1.
What is the InChIKey of 1-methyl-3-[2-(oxolan-3-yloxy)-4-pyridinyl]-1-phenylurea?
The InChIKey is HJPPETWCVAGEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-20(14-5-3-2-4-6-14)17(21)19-13-7-9-18-16(11-13)23-15-8-10-22-12-15/h2-7,9,11,15H,8,10,12H2,1H3,(H,18,19,21).
What are the key properties of 1-methyl-3-[2-(oxolan-3-yloxy)-4-pyridinyl]-1-phenylurea?
1-methyl-3-[2-(oxolan-3-yloxy)-4-pyridinyl]-1-phenylurea has a molecular weight of 313.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(oxolan-3-yloxy)-4-pyridinyl]-1-phenylurea is sourced from PubChem (CID 138004617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).