5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide

C17H18FN3O3 — CID 109103654

IUPAC5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
SMILESCOCCCNC(=O)c1cncc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FN3O3/c1-24-8-2-7-20-16(22)12-9-13(11-19-10-12)17(23)21-15-5-3-14(18)4-6-15/h3-6,9-11H,2,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyDSNFSCFTAUMATK-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.24
Rot. Bonds7

About 5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide

5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide (PubChem CID 109103654) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
PubChem CID109103654
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
SMILESCOCCCNC(=O)c1cncc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FN3O3/c1-24-8-2-7-20-16(22)12-9-13(11-19-10-12)17(23)21-15-5-3-14(18)4-6-15/h3-6,9-11H,2,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyDSNFSCFTAUMATK-UHFFFAOYSA-N
XLogP2.24
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.24
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-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109103680
5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103717
3-N-(3-methoxypropyl)-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-dicarboxamide
CID 109103690
5-N-(2-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103653
5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106374
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228217
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17218182
5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228185
5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109228264
3-N-(2-methoxyethyl)-5-N-(4-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109103509
5-N-(2-ethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103642
5-hydroxy-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 63865493

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide (CID 109103654) is 5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide is COCCCNC(=O)c1cncc(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide?
The InChIKey is DSNFSCFTAUMATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-24-8-2-7-20-16(22)12-9-13(11-19-10-12)17(23)21-15-5-3-14(18)4-6-15/h3-6,9-11H,2,7-8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide?
5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide has a molecular weight of 331.35 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).