6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide

C21H25N3O3 — CID 109096175

IUPAC6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide
SMILESO=C(NCCCc1ccccc1)c1cccc(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C21H25N3O3/c25-20(22-13-5-9-16-7-2-1-3-8-16)18-11-4-12-19(24-18)21(26)23-15-17-10-6-14-27-17/h1-4,7-8,11-12,17H,5-6,9-10,13-15H2,(H,22,25)(H,23,26)
InChIKeyBXBDJBSLZVMOPZ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.35
Rot. Bonds8

About 6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide

6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide (PubChem CID 109096175) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide
PubChem CID109096175
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide
SMILESO=C(NCCCc1ccccc1)c1cccc(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C21H25N3O3/c25-20(22-13-5-9-16-7-2-1-3-8-16)18-11-4-12-19(24-18)21(26)23-15-17-10-6-14-27-17/h1-4,7-8,11-12,17H,5-6,9-10,13-15H2,(H,22,25)(H,23,26)
InChIKeyBXBDJBSLZVMOPZ-UHFFFAOYSA-N
XLogP2.35
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.35
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,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096161
2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096180
N-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109343930
6-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109343757
2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109252554
2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109083276
2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096140
6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096177
6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096215
6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109096136
6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109096025

Frequently Asked Questions

What is the IUPAC name of 6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide (CID 109096175) is 6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide is O=C(NCCCc1ccccc1)c1cccc(C(=O)NCC2CCCO2)n1.
What is the InChIKey of 6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide?
The InChIKey is BXBDJBSLZVMOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-20(22-13-5-9-16-7-2-1-3-8-16)18-11-4-12-19(24-18)21(26)23-15-17-10-6-14-27-17/h1-4,7-8,11-12,17H,5-6,9-10,13-15H2,(H,22,25)(H,23,26).
What are the key properties of 6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide?
6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109096175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).