5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide

C20H25N3O3 — CID 109103645

IUPAC5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cncc(C(=O)NCCCOC)c1
InChIInChI=1S/C20H25N3O3/c1-4-15-8-5-7-14(2)18(15)23-20(25)17-11-16(12-21-13-17)19(24)22-9-6-10-26-3/h5,7-8,11-13H,4,6,9-10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBMXOCHDWPUCBLS-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.97
Rot. Bonds8

About 5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide

5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide (PubChem CID 109103645) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
PubChem CID109103645
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cncc(C(=O)NCCCOC)c1
InChIInChI=1S/C20H25N3O3/c1-4-15-8-5-7-14(2)18(15)23-20(25)17-11-16(12-21-13-17)19(24)22-9-6-10-26-3/h5,7-8,11-13H,4,6,9-10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBMXOCHDWPUCBLS-UHFFFAOYSA-N
XLogP2.97
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.97
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

3-N-[2-(dimethylamino)ethyl]-5-N-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide
CID 109104102
5-N-(2-ethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103642
5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103717
5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103641
3-N-(2-ethyl-6-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101431
5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104332
5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104899
1-N-(3-methoxypropyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109052749
5-N-(2-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103653
N-(2-ethyl-6-methylphenyl)-5-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236678
2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082568
5-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 109243693

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide (CID 109103645) is 5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide is CCc1cccc(C)c1NC(=O)c1cncc(C(=O)NCCCOC)c1.
What is the InChIKey of 5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide?
The InChIKey is BMXOCHDWPUCBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-15-8-5-7-14(2)18(15)23-20(25)17-11-16(12-21-13-17)19(24)22-9-6-10-26-3/h5,7-8,11-13H,4,6,9-10H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide?
5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).