5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide

C20H23FN4O3 — CID 109103429

IUPAC5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H23FN4O3/c1-28-11-6-23-19(26)15-12-16(14-22-13-15)20(27)25-9-7-24(8-10-25)18-4-2-17(21)3-5-18/h2-5,12-14H,6-11H2,1H3,(H,23,26)
InChIKeyCONDGQIRWXOYAU-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.56
Rot. Bonds6

About 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide

5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 109103429) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID109103429
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H23FN4O3/c1-28-11-6-23-19(26)15-12-16(14-22-13-15)20(27)25-9-7-24(8-10-25)18-4-2-17(21)3-5-18/h2-5,12-14H,6-11H2,1H3,(H,23,26)
InChIKeyCONDGQIRWXOYAU-UHFFFAOYSA-N
XLogP1.56
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106571
N-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103395
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-prop-2-enylpyridine-3-carboxamide
CID 109101767
N-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103444
N,N-diethyl-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109106568
3-N-(2-methoxyethyl)-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide
CID 109103527
4-(4-fluorophenyl)-N-[4-(2-methoxyethylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 56763318
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183865
N-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103614
[4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone
CID 109228260
[5-(3-methoxypropylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109228225
N-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109102368

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 109103429) is 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1cncc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is CONDGQIRWXOYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-28-11-6-23-19(26)15-12-16(14-22-13-15)20(27)25-9-7-24(8-10-25)18-4-2-17(21)3-5-18/h2-5,12-14H,6-11H2,1H3,(H,23,26).
What are the key properties of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109103429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).