1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-cycloheptylurea

C20H24ClN3O2 — CID 72545668

IUPAC1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-cycloheptylurea
SMILESO=C(Nc1ncccc1OCc1cccc(Cl)c1)NC1CCCCCC1
InChIInChI=1S/C20H24ClN3O2/c21-16-8-5-7-15(13-16)14-26-18-11-6-12-22-19(18)24-20(25)23-17-9-3-1-2-4-10-17/h5-8,11-13,17H,1-4,9-10,14H2,(H2,22,23,24,25)
InChIKeyFSTNEJDGWJLTHK-UHFFFAOYSA-N
MW373.88 g/mol
LogP5.16
Rot. Bonds5

About 1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-cycloheptylurea

1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-cycloheptylurea (PubChem CID 72545668) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-cycloheptylurea.

Molecular Properties

Compound Name1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-cycloheptylurea
PubChem CID72545668
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-cycloheptylurea
SMILESO=C(Nc1ncccc1OCc1cccc(Cl)c1)NC1CCCCCC1
InChIInChI=1S/C20H24ClN3O2/c21-16-8-5-7-15(13-16)14-26-18-11-6-12-22-19(18)24-20(25)23-17-9-3-1-2-4-10-17/h5-8,11-13,17H,1-4,9-10,14H2,(H2,22,23,24,25)
InChIKeyFSTNEJDGWJLTHK-UHFFFAOYSA-N
XLogP5.16
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.88
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-3-benzyloxypyridine
CID 90334
N-(5-chloropyridin-2-yl)-2-phenoxyacetamide
CID 738246
1-(5-Chloropyridin-2-yl)-3-[2-(3-ethoxy-2,6-difluorophenyl)cyclopropyl]urea
CID 468174
1-(3-Benzyloxy-2-pyridyl)-3-phenyl-urea
CID 3663276
US9902722, Example 8
CID 118420290
US10155760, Example 66
CID 118429681
US10155760, Example 237
CID 118429996
methyl N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-chlorophenyl]-2-pyridinyl]carbamate
CID 168278250
1-(5-Chloro-2-pyridyl)-3-[2-(3-ethoxy-2-fluoro-6-methoxy-phenyl)ethyl]urea
CID 469202
1-(5-chloro-2-pyridyl)-3-[(1R,2R)-2-(3-ethoxy-2,6-difluoro-phenyl)cyclopropyl]urea
CID 469283
1-(3-Benzyloxypyridin-2-yl)-3-(3-chlorophenyl)urea
CID 4128827
3-[(2-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea
CID 11612229

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-cycloheptylurea?
The IUPAC name of 1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-cycloheptylurea (CID 72545668) is 1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-cycloheptylurea.
What is the SMILES notation for 1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-cycloheptylurea?
The canonical SMILES for 1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-cycloheptylurea is O=C(Nc1ncccc1OCc1cccc(Cl)c1)NC1CCCCCC1.
What is the InChIKey of 1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-cycloheptylurea?
The InChIKey is FSTNEJDGWJLTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c21-16-8-5-7-15(13-16)14-26-18-11-6-12-22-19(18)24-20(25)23-17-9-3-1-2-4-10-17/h5-8,11-13,17H,1-4,9-10,14H2,(H2,22,23,24,25).
What are the key properties of 1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-cycloheptylurea?
1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-cycloheptylurea has a molecular weight of 373.88 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-cycloheptylurea is sourced from PubChem (CID 72545668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).