3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide

C22H23N3O3 — CID 113026605

IUPAC3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCc3cccc(C)c3)cn2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-15-5-4-6-16(11-15)13-23-18-8-10-21(24-14-18)25-22(26)17-7-9-19(27-2)20(12-17)28-3/h4-12,14,23H,13H2,1-3H3,(H,24,25,26)
InChIKeyOYHVFNZVLBOYNV-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.27
Rot. Bonds7

About 3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide

3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide (PubChem CID 113026605) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide
PubChem CID113026605
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCc3cccc(C)c3)cn2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-15-5-4-6-16(11-15)13-23-18-8-10-21(24-14-18)25-22(26)17-7-9-19(27-2)20(12-17)28-3/h4-12,14,23H,13H2,1-3H3,(H,24,25,26)
InChIKeyOYHVFNZVLBOYNV-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026619
N-(3,4-dimethoxyphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232444
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113027190
3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023443
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113032261
3,4-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide;hydrochloride
CID 163326261
N-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
CID 113029060
2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026614
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113020115
3-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011684
2-(2-methylphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026630
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113035879

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide (CID 113026605) is 3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide is COc1ccc(C(=O)Nc2ccc(NCc3cccc(C)c3)cn2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide?
The InChIKey is OYHVFNZVLBOYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-5-4-6-16(11-15)13-23-18-8-10-21(24-14-18)25-22(26)17-7-9-19(27-2)20(12-17)28-3/h4-12,14,23H,13H2,1-3H3,(H,24,25,26).
What are the key properties of 3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide?
3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide is sourced from PubChem (CID 113026605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).