2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide

C21H21N3O4 — CID 113019504

IUPAC2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3c(OC)cccc3OC)cn2)cc1
InChIInChI=1S/C21H21N3O4/c1-26-16-10-7-14(8-11-16)23-19-12-9-15(13-22-19)24-21(25)20-17(27-2)5-4-6-18(20)28-3/h4-13H,1-3H3,(H,22,23)(H,24,25)
InChIKeyKBMGFXWGEBTIPC-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.10
Rot. Bonds7

About 2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide

2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide (PubChem CID 113019504) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
PubChem CID113019504
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3c(OC)cccc3OC)cn2)cc1
InChIInChI=1S/C21H21N3O4/c1-26-16-10-7-14(8-11-16)23-19-12-9-15(13-22-19)24-21(25)20-17(27-2)5-4-6-18(20)28-3/h4-13H,1-3H3,(H,22,23)(H,24,25)
InChIKeyKBMGFXWGEBTIPC-UHFFFAOYSA-N
XLogP4.10
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide
CID 113048302
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide
CID 113017171
2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019493
3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019497
2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016337
N-[6-(4-methoxyanilino)-3-pyridinyl]propanamide
CID 113019477
N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
CID 110605077
N-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113017463
N-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113037270
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide
CID 113017268
N-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113019533
N-(2,6-dichlorophenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide
CID 109164043

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide (CID 113019504) is 2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide is COc1ccc(Nc2ccc(NC(=O)c3c(OC)cccc3OC)cn2)cc1.
What is the InChIKey of 2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide?
The InChIKey is KBMGFXWGEBTIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-26-16-10-7-14(8-11-16)23-19-12-9-15(13-22-19)24-21(25)20-17(27-2)5-4-6-18(20)28-3/h4-13H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide?
2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide has a molecular weight of 379.42 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113019504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).