3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea

C19H22ClN3O3 — CID 97444246

IUPAC3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
SMILESO=C(Nc1ccc(Cl)nc1)N(CCOc1ccccc1)C[C@H]1CCCO1
InChIInChI=1S/C19H22ClN3O3/c20-18-9-8-15(13-21-18)22-19(24)23(14-17-7-4-11-25-17)10-12-26-16-5-2-1-3-6-16/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2,(H,22,24)/t17-/m1/s1
InChIKeyBVSQWZCEPQKXJH-QGZVFWFLSA-N
MW375.86 g/mol
LogP3.83
Rot. Bonds7

About 3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea

3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea (PubChem CID 97444246) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
PubChem CID97444246
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
SMILESO=C(Nc1ccc(Cl)nc1)N(CCOc1ccccc1)C[C@H]1CCCO1
InChIInChI=1S/C19H22ClN3O3/c20-18-9-8-15(13-21-18)22-19(24)23(14-17-7-4-11-25-17)10-12-26-16-5-2-1-3-6-16/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2,(H,22,24)/t17-/m1/s1
InChIKeyBVSQWZCEPQKXJH-QGZVFWFLSA-N
XLogP3.83
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
CID 125163368
3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
CID 126428019
2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
CID 97204039
1-(2-cyanoethyl)-1-(oxolan-2-ylmethyl)-3-(4-phenylmethoxyphenyl)urea
CID 3759520
N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide
CID 131937852
3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 40622198
5-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109185242
3-(2-tert-butylpyrimidin-5-yl)-1-[2-(dimethylamino)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95353157
3-(3-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 52507120
3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 55835045
1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea
CID 97454548
1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea
CID 125160536

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea (CID 97444246) is 3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea is O=C(Nc1ccc(Cl)nc1)N(CCOc1ccccc1)C[C@H]1CCCO1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea?
The InChIKey is BVSQWZCEPQKXJH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c20-18-9-8-15(13-21-18)22-19(24)23(14-17-7-4-11-25-17)10-12-26-16-5-2-1-3-6-16/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2,(H,22,24)/t17-/m1/s1.
What are the key properties of 3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea?
3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea has a molecular weight of 375.86 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea is sourced from PubChem (CID 97444246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).