5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)pyridine-3-carboxamide

C18H22N2O2 — CID 42845893

IUPAC5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H22N2O2/c1-13-7-14(2)9-15(8-13)16-10-17(12-19-11-16)18(21)20-5-4-6-22-3/h7-12H,4-6H2,1-3H3,(H,20,21)
InChIKeyHGXOUZIHAAQPDC-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.13
Rot. Bonds6

About 5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)pyridine-3-carboxamide

5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)pyridine-3-carboxamide (PubChem CID 42845893) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
PubChem CID42845893
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H22N2O2/c1-13-7-14(2)9-15(8-13)16-10-17(12-19-11-16)18(21)20-5-4-6-22-3/h7-12H,4-6H2,1-3H3,(H,20,21)
InChIKeyHGXOUZIHAAQPDC-UHFFFAOYSA-N
XLogP3.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 63865493
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228089
3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109103626
N-(3-methoxypropyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109228070
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
3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109103680
5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103641
N-(3-methoxypropyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109228132
5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228170
5-N-(2-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103653

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)pyridine-3-carboxamide (CID 42845893) is 5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)pyridine-3-carboxamide is COCCCNC(=O)c1cncc(-c2cc(C)cc(C)c2)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The InChIKey is HGXOUZIHAAQPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-7-14(2)9-15(8-13)16-10-17(12-19-11-16)18(21)20-5-4-6-22-3/h7-12H,4-6H2,1-3H3,(H,20,21).
What are the key properties of 5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)pyridine-3-carboxamide?
5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)pyridine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 42845893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).