1-(4-chlorophenyl)-3-[[6-(4-methoxyphenyl)-2-methylpyridine-3-carbonyl]amino]urea

C21H19ClN4O3 — CID 155526516

IUPAC1-(4-chlorophenyl)-3-[[6-(4-methoxyphenyl)-2-methylpyridine-3-carbonyl]amino]urea
SMILESCOc1ccc(-c2ccc(C(=O)NNC(=O)Nc3ccc(Cl)cc3)c(C)n2)cc1
InChIInChI=1S/C21H19ClN4O3/c1-13-18(11-12-19(23-13)14-3-9-17(29-2)10-4-14)20(27)25-26-21(28)24-16-7-5-15(22)6-8-16/h3-12H,1-2H3,(H,25,27)(H2,24,26,28)
InChIKeyCTYLOKRQEKTOOD-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.19
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[[6-(4-methoxyphenyl)-2-methylpyridine-3-carbonyl]amino]urea

1-(4-chlorophenyl)-3-[[6-(4-methoxyphenyl)-2-methylpyridine-3-carbonyl]amino]urea (PubChem CID 155526516) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[6-(4-methoxyphenyl)-2-methylpyridine-3-carbonyl]amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[6-(4-methoxyphenyl)-2-methylpyridine-3-carbonyl]amino]urea
PubChem CID155526516
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC Name1-(4-chlorophenyl)-3-[[6-(4-methoxyphenyl)-2-methylpyridine-3-carbonyl]amino]urea
SMILESCOc1ccc(-c2ccc(C(=O)NNC(=O)Nc3ccc(Cl)cc3)c(C)n2)cc1
InChIInChI=1S/C21H19ClN4O3/c1-13-18(11-12-19(23-13)14-3-9-17(29-2)10-4-14)20(27)25-26-21(28)24-16-7-5-15(22)6-8-16/h3-12H,1-2H3,(H,25,27)(H2,24,26,28)
InChIKeyCTYLOKRQEKTOOD-UHFFFAOYSA-N
XLogP4.19
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]-3-(4-methoxyphenyl)urea
CID 155816911
6-(4-chlorophenyl)-2-methylpyridine-3-carbohydrazide
CID 53433276
6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide
CID 134815918
1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone
CID 11043024
sodium 6-(4-methoxyphenyl)-2-methylpyridine-3-carboxylate
CID 155928034
1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea
CID 841025
N-(3-methoxyphenyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 17498937
methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate
CID 27873719
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-(4-chlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
CID 164619676
6-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide
CID 92620909
4-chloro-2-(hydroxyamino)-N-(4-methoxyphenyl)benzamide
CID 89356019

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[6-(4-methoxyphenyl)-2-methylpyridine-3-carbonyl]amino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[[6-(4-methoxyphenyl)-2-methylpyridine-3-carbonyl]amino]urea (CID 155526516) is 1-(4-chlorophenyl)-3-[[6-(4-methoxyphenyl)-2-methylpyridine-3-carbonyl]amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[6-(4-methoxyphenyl)-2-methylpyridine-3-carbonyl]amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[6-(4-methoxyphenyl)-2-methylpyridine-3-carbonyl]amino]urea is COc1ccc(-c2ccc(C(=O)NNC(=O)Nc3ccc(Cl)cc3)c(C)n2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[6-(4-methoxyphenyl)-2-methylpyridine-3-carbonyl]amino]urea?
The InChIKey is CTYLOKRQEKTOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-13-18(11-12-19(23-13)14-3-9-17(29-2)10-4-14)20(27)25-26-21(28)24-16-7-5-15(22)6-8-16/h3-12H,1-2H3,(H,25,27)(H2,24,26,28).
What are the key properties of 1-(4-chlorophenyl)-3-[[6-(4-methoxyphenyl)-2-methylpyridine-3-carbonyl]amino]urea?
1-(4-chlorophenyl)-3-[[6-(4-methoxyphenyl)-2-methylpyridine-3-carbonyl]amino]urea has a molecular weight of 410.86 g/mol, XLogP of 4.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[6-(4-methoxyphenyl)-2-methylpyridine-3-carbonyl]amino]urea is sourced from PubChem (CID 155526516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).