1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]-3-(4-methoxyphenyl)urea

C20H18ClN3O2 — CID 155816911

IUPAC1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(-c3ccc(Cl)cc3)nc2C)cc1
InChIInChI=1S/C20H18ClN3O2/c1-13-18(11-12-19(22-13)14-3-5-15(21)6-4-14)24-20(25)23-16-7-9-17(26-2)10-8-16/h3-12H,1-2H3,(H2,23,24,25)
InChIKeyXDDCFLHGKPMLJH-UHFFFAOYSA-N
MW367.84 g/mol
LogP5.36
Rot. Bonds4

About 1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]-3-(4-methoxyphenyl)urea

1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]-3-(4-methoxyphenyl)urea (PubChem CID 155816911) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]-3-(4-methoxyphenyl)urea
PubChem CID155816911
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(-c3ccc(Cl)cc3)nc2C)cc1
InChIInChI=1S/C20H18ClN3O2/c1-13-18(11-12-19(22-13)14-3-5-15(21)6-4-14)24-20(25)23-16-7-9-17(26-2)10-8-16/h3-12H,1-2H3,(H2,23,24,25)
InChIKeyXDDCFLHGKPMLJH-UHFFFAOYSA-N
XLogP5.36
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.84
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[[6-(4-methoxyphenyl)-2-methylpyridine-3-carbonyl]amino]urea
CID 155526516
1-(6-amino-2-methyl-3-pyridinyl)-3-(4-chlorophenyl)urea
CID 82331044
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(2,4-dichlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991264
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886286
6-N-(4-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100888
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
N-(4-chlorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide
CID 51345696
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide
CID 50751113
3-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(phenylcarbamoylamino)urea
CID 1497964
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(4-methoxy-2-methylphenyl)benzamide
CID 58716815

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]-3-(4-methoxyphenyl)urea (CID 155816911) is 1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(-c3ccc(Cl)cc3)nc2C)cc1.
What is the InChIKey of 1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]-3-(4-methoxyphenyl)urea?
The InChIKey is XDDCFLHGKPMLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-13-18(11-12-19(22-13)14-3-5-15(21)6-4-14)24-20(25)23-16-7-9-17(26-2)10-8-16/h3-12H,1-2H3,(H2,23,24,25).
What are the key properties of 1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]-3-(4-methoxyphenyl)urea?
1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]-3-(4-methoxyphenyl)urea has a molecular weight of 367.84 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 155816911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).