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

C17H17F2N3O3 — CID 109103717

IUPAC5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
SMILESCOCCCNC(=O)c1cncc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C17H17F2N3O3/c1-25-7-3-6-21-16(23)11-8-12(10-20-9-11)17(24)22-15-13(18)4-2-5-14(15)19/h2,4-5,8-10H,3,6-7H2,1H3,(H,21,23)(H,22,24)
InChIKeyJGXYZXKXJMLMSZ-UHFFFAOYSA-N
MW349.34 g/mol
LogP2.38
Rot. Bonds7

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

5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide (PubChem CID 109103717) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is 5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
PubChem CID109103717
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
SMILESCOCCCNC(=O)c1cncc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C17H17F2N3O3/c1-25-7-3-6-21-16(23)11-8-12(10-20-9-11)17(24)22-15-13(18)4-2-5-14(15)19/h2,4-5,8-10H,3,6-7H2,1H3,(H,21,23)(H,22,24)
InChIKeyJGXYZXKXJMLMSZ-UHFFFAOYSA-N
XLogP2.38
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.38
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

5-N-(2-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103653
5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103654
5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103645
5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103641
5-N-(2-ethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103642
5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228022
N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide
CID 47224631
3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109103680
3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide
CID 109105081
5-N-(2,6-difluorophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105333
5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228185
5-hydroxy-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 63865493

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide (CID 109103717) is 5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide is COCCCNC(=O)c1cncc(C(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of 5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide?
The InChIKey is JGXYZXKXJMLMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-25-7-3-6-21-16(23)11-8-12(10-20-9-11)17(24)22-15-13(18)4-2-5-14(15)19/h2,4-5,8-10H,3,6-7H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide?
5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide has a molecular weight of 349.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).