N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide

C18H23N3O3 — CID 113034682

IUPACN-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(Nc2ccc(NC(=O)C(C)(C)C)nc2)c(OC)c1
InChIInChI=1S/C18H23N3O3/c1-18(2,3)17(22)21-16-9-6-12(11-19-16)20-14-8-7-13(23-4)10-15(14)24-5/h6-11,20H,1-5H3,(H,19,21,22)
InChIKeyYZWIYWOCZMDESH-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.83
Rot. Bonds5

About N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide

N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 113034682) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID113034682
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(Nc2ccc(NC(=O)C(C)(C)C)nc2)c(OC)c1
InChIInChI=1S/C18H23N3O3/c1-18(2,3)17(22)21-16-9-6-12(11-19-16)20-14-8-7-13(23-4)10-15(14)24-5/h6-11,20H,1-5H3,(H,19,21,22)
InChIKeyYZWIYWOCZMDESH-UHFFFAOYSA-N
XLogP3.83
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea
CID 113034717
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034689
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113034694
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113020010
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113034745
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034610
1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea
CID 113034718
2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034700
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
ethyl N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]carbamate
CID 113034657
5-(2,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199779
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034626

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide (CID 113034682) is N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide is COc1ccc(Nc2ccc(NC(=O)C(C)(C)C)nc2)c(OC)c1.
What is the InChIKey of N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is YZWIYWOCZMDESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(2,3)17(22)21-16-9-6-12(11-19-16)20-14-8-7-13(23-4)10-15(14)24-5/h6-11,20H,1-5H3,(H,19,21,22).
What are the key properties of N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide?
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 329.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113034682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).