N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide

C22H23N3O3 — CID 113020114

IUPACN-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
SMILESCOc1ccc(Nc2ccc(NC(=O)Cc3ccccc3C)cn2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-15-6-4-5-7-16(15)12-22(26)25-18-9-11-21(23-14-18)24-17-8-10-19(27-2)20(13-17)28-3/h4-11,13-14H,12H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyXCNYEGZPXMQQHX-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.33
Rot. Bonds7

About N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide

N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide (PubChem CID 113020114) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
PubChem CID113020114
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
SMILESCOc1ccc(Nc2ccc(NC(=O)Cc3ccccc3C)cn2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-15-6-4-5-7-16(15)12-22(26)25-18-9-11-21(23-14-18)24-17-8-10-19(27-2)20(13-17)28-3/h4-11,13-14H,12H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyXCNYEGZPXMQQHX-UHFFFAOYSA-N
XLogP4.33
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113014017
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113020115
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113023246
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide
CID 113020075
N-[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113021601
1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113020117
methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate
CID 113020119
2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide
CID 113021300
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113018440
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113018928
2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169645
N-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113014815

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide (CID 113020114) is N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide is COc1ccc(Nc2ccc(NC(=O)Cc3ccccc3C)cn2)cc1OC.
What is the InChIKey of N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide?
The InChIKey is XCNYEGZPXMQQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-6-4-5-7-16(15)12-22(26)25-18-9-11-21(23-14-18)24-17-8-10-19(27-2)20(13-17)28-3/h4-11,13-14H,12H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide?
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide has a molecular weight of 377.44 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 113020114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).