1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide

C17H19N3O3 — CID 109045098

IUPAC1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
SMILESCOCCNC(=O)c1ccc(C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C17H19N3O3/c1-23-11-10-19-16(21)14-2-4-15(5-3-14)17(22)20-12-13-6-8-18-9-7-13/h2-9H,10-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyRBOANOPOTQSCIG-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.39
Rot. Bonds7

About 1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide

1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide (PubChem CID 109045098) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
PubChem CID109045098
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
SMILESCOCCNC(=O)c1ccc(C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C17H19N3O3/c1-23-11-10-19-16(21)14-2-4-15(5-3-14)17(22)20-12-13-6-8-18-9-7-13/h2-9H,10-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyRBOANOPOTQSCIG-UHFFFAOYSA-N
XLogP1.39
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)oxamide
CID 5077077
N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109059702
4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide
CID 43086931
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047754
4-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
CID 24517908
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165392
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide (CID 109045098) is 1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide is COCCNC(=O)c1ccc(C(=O)NCc2ccncc2)cc1.
What is the InChIKey of 1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide?
The InChIKey is RBOANOPOTQSCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-11-10-19-16(21)14-2-4-15(5-3-14)17(22)20-12-13-6-8-18-9-7-13/h2-9H,10-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide?
1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).