3-(3,4-dimethoxyphenyl)-N-[5-(3-methylanilino)-2-pyridinyl]propanamide

C23H25N3O3 — CID 113031455

IUPAC3-(3,4-dimethoxyphenyl)-N-[5-(3-methylanilino)-2-pyridinyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(Nc3cccc(C)c3)cn2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-16-5-4-6-18(13-16)25-19-9-11-22(24-15-19)26-23(27)12-8-17-7-10-20(28-2)21(14-17)29-3/h4-7,9-11,13-15,25H,8,12H2,1-3H3,(H,24,26,27)
InChIKeyVXLPZXDRKPVTBP-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.72
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-[5-(3-methylanilino)-2-pyridinyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[5-(3-methylanilino)-2-pyridinyl]propanamide (PubChem CID 113031455) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[5-(3-methylanilino)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[5-(3-methylanilino)-2-pyridinyl]propanamide
PubChem CID113031455
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[5-(3-methylanilino)-2-pyridinyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(Nc3cccc(C)c3)cn2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-16-5-4-6-18(13-16)25-19-9-11-22(24-15-19)26-23(27)12-8-17-7-10-20(28-2)21(14-17)29-3/h4-7,9-11,13-15,25H,8,12H2,1-3H3,(H,24,26,27)
InChIKeyVXLPZXDRKPVTBP-UHFFFAOYSA-N
XLogP4.72
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.72
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-[5-(3-cyanoanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113037183
N-[6-(tert-butylamino)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113014809
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113020115
2-(3,4-dimethoxyphenyl)-N-[5-(2,5-dimethylanilino)-2-pyridinyl]acetamide
CID 113032044
3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide
CID 113047289
2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide
CID 113032344
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109193638
N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 9341227
2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide
CID 113045737
3-(3,4-dimethoxyphenyl)-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide
CID 113011350
2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide
CID 113021300

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[5-(3-methylanilino)-2-pyridinyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[5-(3-methylanilino)-2-pyridinyl]propanamide (CID 113031455) is 3-(3,4-dimethoxyphenyl)-N-[5-(3-methylanilino)-2-pyridinyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[5-(3-methylanilino)-2-pyridinyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[5-(3-methylanilino)-2-pyridinyl]propanamide is COc1ccc(CCC(=O)Nc2ccc(Nc3cccc(C)c3)cn2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[5-(3-methylanilino)-2-pyridinyl]propanamide?
The InChIKey is VXLPZXDRKPVTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-5-4-6-18(13-16)25-19-9-11-22(24-15-19)26-23(27)12-8-17-7-10-20(28-2)21(14-17)29-3/h4-7,9-11,13-15,25H,8,12H2,1-3H3,(H,24,26,27).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[5-(3-methylanilino)-2-pyridinyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[5-(3-methylanilino)-2-pyridinyl]propanamide has a molecular weight of 391.47 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[5-(3-methylanilino)-2-pyridinyl]propanamide is sourced from PubChem (CID 113031455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).