3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide

C17H27N3O3 — CID 109103626

IUPAC3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cncc(C(=O)NCCCOC)c1
InChIInChI=1S/C17H27N3O3/c1-4-8-20(9-5-2)17(22)15-11-14(12-18-13-15)16(21)19-7-6-10-23-3/h11-13H,4-10H2,1-3H3,(H,19,21)
InChIKeySZMHSWRAFLMEQH-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.11
Rot. Bonds10

About 3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide

3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide (PubChem CID 109103626) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
PubChem CID109103626
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cncc(C(=O)NCCCOC)c1
InChIInChI=1S/C17H27N3O3/c1-4-8-20(9-5-2)17(22)15-11-14(12-18-13-15)16(21)19-7-6-10-23-3/h11-13H,4-10H2,1-3H3,(H,19,21)
InChIKeySZMHSWRAFLMEQH-UHFFFAOYSA-N
XLogP2.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107218
5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109103454
5-hydroxy-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 63865493
N-(3-methoxypropyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109228070
3-N-[2-(2-fluorophenyl)ethyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109106315
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109105740
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
5-N-(2-ethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103642
5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 42845893
5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103654
5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103717

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide (CID 109103626) is 3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide is CCCN(CCC)C(=O)c1cncc(C(=O)NCCCOC)c1.
What is the InChIKey of 3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide?
The InChIKey is SZMHSWRAFLMEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-4-8-20(9-5-2)17(22)15-11-14(12-18-13-15)16(21)19-7-6-10-23-3/h11-13H,4-10H2,1-3H3,(H,19,21).
What are the key properties of 3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide?
3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide has a molecular weight of 321.42 g/mol, XLogP of 2.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).