1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea

C20H20N4O3 — CID 113034717

IUPAC1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea
SMILESCOc1ccc(Nc2ccc(NC(=O)Nc3ccccc3)nc2)c(OC)c1
InChIInChI=1S/C20H20N4O3/c1-26-16-9-10-17(18(12-16)27-2)22-15-8-11-19(21-13-15)24-20(25)23-14-6-4-3-5-7-14/h3-13,22H,1-2H3,(H2,21,23,24,25)
InChIKeyBCSBLHOCYVVTDV-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.49
Rot. Bonds6

About 1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea

1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea (PubChem CID 113034717) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea
PubChem CID113034717
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea
SMILESCOc1ccc(Nc2ccc(NC(=O)Nc3ccccc3)nc2)c(OC)c1
InChIInChI=1S/C20H20N4O3/c1-26-16-9-10-17(18(12-16)27-2)22-15-8-11-19(21-13-15)24-20(25)23-14-6-4-3-5-7-14/h3-13,22H,1-2H3,(H2,21,23,24,25)
InChIKeyBCSBLHOCYVVTDV-UHFFFAOYSA-N
XLogP4.49
TPSA84.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113034682
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113034694
1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea
CID 113034718
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034689
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113020010
2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034700
5-(2,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199779
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034610
1-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113022483
1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113020117
N-(4-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109200229
6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355840

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea (CID 113034717) is 1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea is COc1ccc(Nc2ccc(NC(=O)Nc3ccccc3)nc2)c(OC)c1.
What is the InChIKey of 1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea?
The InChIKey is BCSBLHOCYVVTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-16-9-10-17(18(12-16)27-2)22-15-8-11-19(21-13-15)24-20(25)23-14-6-4-3-5-7-14/h3-13,22H,1-2H3,(H2,21,23,24,25).
What are the key properties of 1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea?
1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea has a molecular weight of 364.41 g/mol, XLogP of 4.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea is sourced from PubChem (CID 113034717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).