2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide

C20H25N3O5 — CID 109082174

IUPAC2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
SMILESCOCCNC(=O)c1ccnc(C(=O)NCCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H25N3O5/c1-26-11-10-23-19(24)15-7-9-21-16(13-15)20(25)22-8-6-14-4-5-17(27-2)18(12-14)28-3/h4-5,7,9,12-13H,6,8,10-11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyNUVZVTFBAFCJTC-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.45
Rot. Bonds10

About 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide

2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide (PubChem CID 109082174) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
PubChem CID109082174
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
SMILESCOCCNC(=O)c1ccnc(C(=O)NCCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H25N3O5/c1-26-11-10-23-19(24)15-7-9-21-16(13-15)20(25)22-8-6-14-4-5-17(27-2)18(12-14)28-3/h4-5,7,9,12-13H,6,8,10-11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyNUVZVTFBAFCJTC-UHFFFAOYSA-N
XLogP1.45
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095683
4-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082154
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088557
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2250640
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
2-N-(3,4-dimethoxyphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082596
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide
CID 109173781
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide
CID 109173792
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methylanilino)pyridine-2-carboxamide
CID 109215403
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide (CID 109082174) is 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide is COCCNC(=O)c1ccnc(C(=O)NCCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
The InChIKey is NUVZVTFBAFCJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-26-11-10-23-19(24)15-7-9-21-16(13-15)20(25)22-8-6-14-4-5-17(27-2)18(12-14)28-3/h4-5,7,9,12-13H,6,8,10-11H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide has a molecular weight of 387.44 g/mol, XLogP of 1.45, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109082174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).