6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide

C20H25N3O4 — CID 109095851

IUPAC6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
SMILESCOCCCNC(=O)c1cccc(C(=O)NCCc2ccc(OC)cc2)n1
InChIInChI=1S/C20H25N3O4/c1-26-14-4-12-21-19(24)17-5-3-6-18(23-17)20(25)22-13-11-15-7-9-16(27-2)10-8-15/h3,5-10H,4,11-14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJDDQABCSYYCGCR-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.83
Rot. Bonds10

About 6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide

6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide (PubChem CID 109095851) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
PubChem CID109095851
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
SMILESCOCCCNC(=O)c1cccc(C(=O)NCCc2ccc(OC)cc2)n1
InChIInChI=1S/C20H25N3O4/c1-26-14-4-12-21-19(24)17-5-3-6-18(23-17)20(25)22-13-11-15-7-9-16(27-2)10-8-15/h3,5-10H,4,11-14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJDDQABCSYYCGCR-UHFFFAOYSA-N
XLogP1.83
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 62239248
6-methoxy-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 84581499
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109097100
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095683
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012
6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109096805
2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300175
2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096161
6-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 84581484
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
6-N-cyclopentyl-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109094939

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide (CID 109095851) is 6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide is COCCCNC(=O)c1cccc(C(=O)NCCc2ccc(OC)cc2)n1.
What is the InChIKey of 6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide?
The InChIKey is JDDQABCSYYCGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-26-14-4-12-21-19(24)17-5-3-6-18(23-17)20(25)22-13-11-15-7-9-16(27-2)10-8-15/h3,5-10H,4,11-14H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide?
6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.83, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109095851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).