N-(4-fluorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide

C17H17FN4O2 — CID 109230952

IUPACN-(4-fluorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=CN1CCN(c2cncc(C(=O)Nc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C17H17FN4O2/c18-14-1-3-15(4-2-14)20-17(24)13-9-16(11-19-10-13)22-7-5-21(12-23)6-8-22/h1-4,9-12H,5-8H2,(H,20,24)
InChIKeyDCULKIOJAADJKW-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.75
Rot. Bonds4

About N-(4-fluorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide

N-(4-fluorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109230952) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109230952
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC NameN-(4-fluorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=CN1CCN(c2cncc(C(=O)Nc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C17H17FN4O2/c18-14-1-3-15(4-2-14)20-17(24)13-9-16(11-19-10-13)22-7-5-21(12-23)6-8-22/h1-4,9-12H,5-8H2,(H,20,24)
InChIKeyDCULKIOJAADJKW-UHFFFAOYSA-N
XLogP1.75
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109237578
methyl 4-[[5-(4-formylpiperazin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109230985
N-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230941
N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230953
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230971
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
N-(2-tert-butylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230949
N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225827
3,4-dichloro-N-[4-(4-formylpiperazin-1-yl)phenyl]benzamide
CID 112981690
N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide
CID 109241376
N-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109225130

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide (CID 109230952) is N-(4-fluorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide is O=CN1CCN(c2cncc(C(=O)Nc3ccc(F)cc3)c2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is DCULKIOJAADJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c18-14-1-3-15(4-2-14)20-17(24)13-9-16(11-19-10-13)22-7-5-21(12-23)6-8-22/h1-4,9-12H,5-8H2,(H,20,24).
What are the key properties of N-(4-fluorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
N-(4-fluorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109230952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).