2-[[2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide

C21H22N4O4 — CID 90667133

IUPAC2-[[2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide
SMILESCOc1cc(Nc2cc(Nc3ccccc3C(N)=O)ccn2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O4/c1-27-17-10-14(11-18(28-2)20(17)29-3)25-19-12-13(8-9-23-19)24-16-7-5-4-6-15(16)21(22)26/h4-12H,1-3H3,(H2,22,26)(H2,23,24,25)
InChIKeyOAFXARSRYKMEII-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.69
Rot. Bonds8

About 2-[[2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide

2-[[2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide (PubChem CID 90667133) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-[[2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide
PubChem CID90667133
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name2-[[2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide
SMILESCOc1cc(Nc2cc(Nc3ccccc3C(N)=O)ccn2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O4/c1-27-17-10-14(11-18(28-2)20(17)29-3)25-19-12-13(8-9-23-19)24-16-7-5-4-6-15(16)21(22)26/h4-12H,1-3H3,(H2,22,26)(H2,23,24,25)
InChIKeyOAFXARSRYKMEII-UHFFFAOYSA-N
XLogP3.69
TPSA107.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Sbi-0206965
CID 92044402
2-((3-acrylamido-4-methylphenyl)amino)-N-(2-methyl-5-(3,4,5-trimethoxybenzamido)phenyl)-4-(methylamino)pyrimidine-5-carboxamide
CID 122633900
N-(4-phenoxy-phenyl)-3-{3-[4-(3,4,5-trimethoxy-phenylamino)-[1,3,5]triazin-2-yl]-pyridin-2-ylamino}benzamide
CID 10233129
4-[6-(3,4,5-Trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
(3s)-N-[3-(Trifluoromethoxy)benzyl]-1-{2-[(3,4,5-Trimethoxyphenyl)amino]pyrimidin-4-Yl}piperidine-3-Carboxamide
CID 53495177
(3s)-N-(4-Methylbenzyl)-1-{2-[(3,4,5-Trimethoxyphenyl)amino]pyrimidin-4-Yl}piperidine-3-Carboxamide
CID 56596558
N-Methyl-2-[[4-[(3,4,5-Trimethoxyphenyl)amino]-1,3,5-Triazin-2-Yl]amino]benzamide
CID 71812784
2-((2-aminopyridin-4-yl)methylamino)-N-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)benzamide
CID 44442395
2-((2-acetamidopyridin-4-yl)methylamino)-N-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)benzamide
CID 44442396
3-({4-[(5-Methoxy-2-methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138023
Imidazo[1,2-c]pyrimidine-8-carboxamide, 12
CID 25138170
N-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide
CID 25195369

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide?
The IUPAC name of 2-[[2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide (CID 90667133) is 2-[[2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide?
The canonical SMILES for 2-[[2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide is COc1cc(Nc2cc(Nc3ccccc3C(N)=O)ccn2)cc(OC)c1OC.
What is the InChIKey of 2-[[2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide?
The InChIKey is OAFXARSRYKMEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-27-17-10-14(11-18(28-2)20(17)29-3)25-19-12-13(8-9-23-19)24-16-7-5-4-6-15(16)21(22)26/h4-12H,1-3H3,(H2,22,26)(H2,23,24,25).
What are the key properties of 2-[[2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide?
2-[[2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide has a molecular weight of 394.43 g/mol, XLogP of 3.69, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 90667133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).