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

C21H21N3O3 — CID 113034689

IUPACN-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccc(C)cc3)nc2)c(OC)c1
InChIInChI=1S/C21H21N3O3/c1-14-4-6-15(7-5-14)21(25)24-20-11-8-16(13-22-20)23-18-10-9-17(26-2)12-19(18)27-3/h4-13,23H,1-3H3,(H,22,24,25)
InChIKeyCSNHFKWWWGNPTB-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.40
Rot. Bonds6

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

N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide (PubChem CID 113034689) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
PubChem CID113034689
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccc(C)cc3)nc2)c(OC)c1
InChIInChI=1S/C21H21N3O3/c1-14-4-6-15(7-5-14)21(25)24-20-11-8-16(13-22-20)23-18-10-9-17(26-2)12-19(18)27-3/h4-13,23H,1-3H3,(H,22,24,25)
InChIKeyCSNHFKWWWGNPTB-UHFFFAOYSA-N
XLogP4.40
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034626
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113034694
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032033
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113034682
1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea
CID 113034717
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032108
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113033826
2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034700
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113020010
1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea
CID 113034718
N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide
CID 112987930
N-(4-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109200229

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide (CID 113034689) is N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide is COc1ccc(Nc2ccc(NC(=O)c3ccc(C)cc3)nc2)c(OC)c1.
What is the InChIKey of N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide?
The InChIKey is CSNHFKWWWGNPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-4-6-15(7-5-14)21(25)24-20-11-8-16(13-22-20)23-18-10-9-17(26-2)12-19(18)27-3/h4-13,23H,1-3H3,(H,22,24,25).
What are the key properties of N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide?
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide has a molecular weight of 363.42 g/mol, XLogP of 4.40, 6 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]-4-methylbenzamide is sourced from PubChem (CID 113034689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).