2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide

C15H23N3O3 — CID 109079380

IUPAC2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)NCCCOC)ccn1
InChIInChI=1S/C15H23N3O3/c1-3-4-7-18-15(20)13-11-12(6-9-16-13)14(19)17-8-5-10-21-2/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHOXUCUONVHWQQY-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.38
Rot. Bonds9

About 2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide

2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide (PubChem CID 109079380) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
PubChem CID109079380
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)NCCCOC)ccn1
InChIInChI=1S/C15H23N3O3/c1-3-4-7-18-15(20)13-11-12(6-9-16-13)14(19)17-8-5-10-21-2/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHOXUCUONVHWQQY-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'}

Analyze 2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372
4-N-[2-(dimethylamino)ethyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082641
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082506
2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082568
2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082650
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
4-N-[(2-chlorophenyl)methyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082657
4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109082510
4-N-[(4-methoxyphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109086884
4-N-(3-methoxypropyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109082488

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide (CID 109079380) is 2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide is CCCCNC(=O)c1cc(C(=O)NCCCOC)ccn1.
What is the InChIKey of 2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
The InChIKey is HOXUCUONVHWQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-4-7-18-15(20)13-11-12(6-9-16-13)14(19)17-8-5-10-21-2/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
2-N-butyl-4-N-(3-methoxypropyl)pyridine-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-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).