2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide

C15H23N3O3 — CID 109082372

IUPAC2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccnc(C(=O)NCCOC)c1
InChIInChI=1S/C15H23N3O3/c1-3-4-5-7-17-14(19)12-6-8-16-13(11-12)15(20)18-9-10-21-2/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyOLYKDYYZCKYHHV-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.38
Rot. Bonds9

About 2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide

2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide (PubChem CID 109082372) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
PubChem CID109082372
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccnc(C(=O)NCCOC)c1
InChIInChI=1S/C15H23N3O3/c1-3-4-5-7-17-14(19)12-6-8-16-13(11-12)15(20)18-9-10-21-2/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyOLYKDYYZCKYHHV-UHFFFAOYSA-N
XLogP1.38
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.38
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

2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
4-N-[(4-methoxyphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109086884
2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109078607
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088557
4-N-[2-(dimethylamino)ethyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082641
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
4-bromo-N-dodecylpyridine-2-carboxamide
CID 132587561
2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088529
4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide
CID 109089858

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide (CID 109082372) is 2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide is CCCCCNC(=O)c1ccnc(C(=O)NCCOC)c1.
What is the InChIKey of 2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide?
The InChIKey is OLYKDYYZCKYHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-4-5-7-17-14(19)12-6-8-16-13(11-12)15(20)18-9-10-21-2/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide?
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109082372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).