N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide

C22H23N3O3 — CID 113032261

IUPACN-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3c(C)cccc3C)cn2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-14-6-5-7-15(2)21(14)24-17-9-11-20(23-13-17)25-22(26)16-8-10-18(27-3)19(12-16)28-4/h5-13,24H,1-4H3,(H,23,25,26)
InChIKeyCWFJBUKVKKQJCP-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.71
Rot. Bonds6

About N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide

N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide (PubChem CID 113032261) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
PubChem CID113032261
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3c(C)cccc3C)cn2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-14-6-5-7-15(2)21(14)24-17-9-11-20(23-13-17)25-22(26)16-8-10-18(27-3)19(12-16)28-4/h5-13,24H,1-4H3,(H,23,25,26)
InChIKeyCWFJBUKVKKQJCP-UHFFFAOYSA-N
XLogP4.71
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113032259
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113035879
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113032254
3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide
CID 113016106
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032271
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113034755
3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide
CID 113026605
3,4-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide;hydrochloride
CID 163326261
3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023443
N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113032663
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide
CID 113017171
6-(3,4-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109162791

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide (CID 113032261) is N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3c(C)cccc3C)cn2)cc1OC.
What is the InChIKey of N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide?
The InChIKey is CWFJBUKVKKQJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-6-5-7-15(2)21(14)24-17-9-11-20(23-13-17)25-22(26)16-8-10-18(27-3)19(12-16)28-4/h5-13,24H,1-4H3,(H,23,25,26).
What are the key properties of N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide?
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide has a molecular weight of 377.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 113032261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).