N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide

C23H25FN4O2 — CID 86898718

IUPACN-[4-[3-(dimethylamino)propoxy]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide
SMILESCN(C)CCCOc1ccc(NC(=O)c2cccnc2Nc2cccc(F)c2)cc1
InChIInChI=1S/C23H25FN4O2/c1-28(2)14-5-15-30-20-11-9-18(10-12-20)27-23(29)21-8-4-13-25-22(21)26-19-7-3-6-17(24)16-19/h3-4,6-13,16H,5,14-15H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyZMSJZPJDEKZHBP-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.55
Rot. Bonds9

About N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide

N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide (PubChem CID 86898718) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)propoxy]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide
PubChem CID86898718
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-[4-[3-(dimethylamino)propoxy]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide
SMILESCN(C)CCCOc1ccc(NC(=O)c2cccnc2Nc2cccc(F)c2)cc1
InChIInChI=1S/C23H25FN4O2/c1-28(2)14-5-15-30-20-11-9-18(10-12-20)27-23(29)21-8-4-13-25-22(21)26-19-7-3-6-17(24)16-19/h3-4,6-13,16H,5,14-15H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyZMSJZPJDEKZHBP-UHFFFAOYSA-N
XLogP4.55
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632400
2-(3-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632897
N-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 51119906
N-(4-bromophenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 23632618
2-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632674
N-(3-fluorophenyl)-2-(4-methylanilino)pyridine-3-carboxamide
CID 23632549
2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide
CID 47246328
2-[4-[(2-acetamido-4-pyridinyl)oxy]-3-chloroanilino]-N-[2-[3-(dimethylamino)propoxy]-4-fluorophenyl]pyridine-3-carboxamide
CID 171481446
3-(dimethylamino)propyl 2-(3-methylsulfanylanilino)pyridine-3-carboxylate
CID 3058616
N-(4-cyclopentylsulfanylphenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 60509420
2-(3-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632895
2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 112809803

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide (CID 86898718) is N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide is CN(C)CCCOc1ccc(NC(=O)c2cccnc2Nc2cccc(F)c2)cc1.
What is the InChIKey of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is ZMSJZPJDEKZHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-28(2)14-5-15-30-20-11-9-18(10-12-20)27-23(29)21-8-4-13-25-22(21)26-19-7-3-6-17(24)16-19/h3-4,6-13,16H,5,14-15H2,1-2H3,(H,25,26)(H,27,29).
What are the key properties of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide?
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 86898718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).