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

C18H27N3O3 — CID 99643155

IUPAC1-cycloheptyl-1-methyl-3-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]urea
SMILESCN(C(=O)Nc1ccnc(O[C@H]2CCOC2)c1)C1CCCCCC1
InChIInChI=1S/C18H27N3O3/c1-21(15-6-4-2-3-5-7-15)18(22)20-14-8-10-19-17(12-14)24-16-9-11-23-13-16/h8,10,12,15-16H,2-7,9,11,13H2,1H3,(H,19,20,22)/t16-/m0/s1
InChIKeyUXVKYTDIWYCHHT-INIZCTEOSA-N
MW333.43 g/mol
LogP3.44
Rot. Bonds4

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

1-cycloheptyl-1-methyl-3-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]urea (PubChem CID 99643155) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-cycloheptyl-1-methyl-3-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]urea.

Molecular Properties

Compound Name1-cycloheptyl-1-methyl-3-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]urea
PubChem CID99643155
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-cycloheptyl-1-methyl-3-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]urea
SMILESCN(C(=O)Nc1ccnc(O[C@H]2CCOC2)c1)C1CCCCCC1
InChIInChI=1S/C18H27N3O3/c1-21(15-6-4-2-3-5-7-15)18(22)20-14-8-10-19-17(12-14)24-16-9-11-23-13-16/h8,10,12,15-16H,2-7,9,11,13H2,1H3,(H,19,20,22)/t16-/m0/s1
InChIKeyUXVKYTDIWYCHHT-INIZCTEOSA-N
XLogP3.44
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[2-(oxolan-3-yloxy)-4-pyridinyl]-1-phenylurea
CID 138004617
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-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]hexa-2,4-dienamide
CID 97250433
(2E,4E)-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]hexa-2,4-dienamide
CID 97250432
2-(3-fluorophenyl)-N-[2-(oxolan-3-yloxy)-4-pyridinyl]acetamide
CID 84594953
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815245
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide
CID 124617634

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1-methyl-3-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]urea?
The IUPAC name of 1-cycloheptyl-1-methyl-3-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]urea (CID 99643155) is 1-cycloheptyl-1-methyl-3-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]urea.
What is the SMILES notation for 1-cycloheptyl-1-methyl-3-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]urea?
The canonical SMILES for 1-cycloheptyl-1-methyl-3-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]urea is CN(C(=O)Nc1ccnc(O[C@H]2CCOC2)c1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-1-methyl-3-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]urea?
The InChIKey is UXVKYTDIWYCHHT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-21(15-6-4-2-3-5-7-15)18(22)20-14-8-10-19-17(12-14)24-16-9-11-23-13-16/h8,10,12,15-16H,2-7,9,11,13H2,1H3,(H,19,20,22)/t16-/m0/s1.
What are the key properties of 1-cycloheptyl-1-methyl-3-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]urea?
1-cycloheptyl-1-methyl-3-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]urea has a molecular weight of 333.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-methyl-3-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]urea is sourced from PubChem (CID 99643155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).