3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide

C18H22N4O3 — CID 109103424

IUPAC3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
SMILESCOCCNC(=O)c1cncc(C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C18H22N4O3/c1-22(9-5-14-3-6-19-7-4-14)18(24)16-11-15(12-20-13-16)17(23)21-8-10-25-2/h3-4,6-7,11-13H,5,8-10H2,1-2H3,(H,21,23)
InChIKeyYXHKEJBHWMHZBY-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.17
Rot. Bonds8

About 3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide

3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide (PubChem CID 109103424) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
PubChem CID109103424
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
SMILESCOCCNC(=O)c1cncc(C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C18H22N4O3/c1-22(9-5-14-3-6-19-7-4-14)18(24)16-11-15(12-20-13-16)17(23)21-8-10-25-2/h3-4,6-7,11-13H,5,8-10H2,1-2H3,(H,21,23)
InChIKeyYXHKEJBHWMHZBY-UHFFFAOYSA-N
XLogP1.17
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101177
3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104288
5-N-methyl-3-N-propan-2-yl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101373
5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109103454
3-N-tert-butyl-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106447
2-(2-methoxyethylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109251520
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103432
3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106473
3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055260
N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109223006
3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106467
N-methyl-N-(2-pyridin-4-ylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235639

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide (CID 109103424) is 3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide is COCCNC(=O)c1cncc(C(=O)N(C)CCc2ccncc2)c1.
What is the InChIKey of 3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide?
The InChIKey is YXHKEJBHWMHZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-22(9-5-14-3-6-19-7-4-14)18(24)16-11-15(12-20-13-16)17(23)21-8-10-25-2/h3-4,6-7,11-13H,5,8-10H2,1-2H3,(H,21,23).
What are the key properties of 3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide?
3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).