1-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]urea

C19H24ClN3O2 — CID 121494770

IUPAC1-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]urea
SMILESCOCCN(Cc1ccccc1Cl)C(=O)NC(C)c1ccc(C)nc1
InChIInChI=1S/C19H24ClN3O2/c1-14-8-9-16(12-21-14)15(2)22-19(24)23(10-11-25-3)13-17-6-4-5-7-18(17)20/h4-9,12,15H,10-11,13H2,1-3H3,(H,22,24)
InChIKeyYMUXWTOWRKVOIS-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.96
Rot. Bonds7

About 1-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]urea

1-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]urea (PubChem CID 121494770) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]urea
PubChem CID121494770
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name1-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]urea
SMILESCOCCN(Cc1ccccc1Cl)C(=O)NC(C)c1ccc(C)nc1
InChIInChI=1S/C19H24ClN3O2/c1-14-8-9-16(12-21-14)15(2)22-19(24)23(10-11-25-3)13-17-6-4-5-7-18(17)20/h4-9,12,15H,10-11,13H2,1-3H3,(H,22,24)
InChIKeyYMUXWTOWRKVOIS-UHFFFAOYSA-N
XLogP3.96
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorophenyl)-3-(3-pyridylmethyl)urea
CID 3676263
1-(3-Chloro-4-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 4143687
1-(5-Chloro-2-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 307542
3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 4884349
N-(3-Chloro-2-methylphenyl)-N'-(2-pyridylmethyl)urea
CID 6464848
1-(3-Chloro-2-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 6469050
2-[3-(2-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 15993317
N-(2,4-dichlorobenzyl)-4-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 24748475
3-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea
CID 44413058
3-(3-Chlorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 2814100
1-(2-chlorobenzyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2186482
1-[(2-chlorophenyl)methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 2998654

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]urea (CID 121494770) is 1-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]urea is COCCN(Cc1ccccc1Cl)C(=O)NC(C)c1ccc(C)nc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]urea?
The InChIKey is YMUXWTOWRKVOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-14-8-9-16(12-21-14)15(2)22-19(24)23(10-11-25-3)13-17-6-4-5-7-18(17)20/h4-9,12,15H,10-11,13H2,1-3H3,(H,22,24).
What are the key properties of 1-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]urea?
1-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]urea has a molecular weight of 361.87 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]urea is sourced from PubChem (CID 121494770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).