5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide

C19H23FN4O2 — CID 109183865

IUPAC5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C19H23FN4O2/c1-26-13-8-21-19(25)18-7-6-17(14-22-18)24-11-9-23(10-12-24)16-4-2-15(20)3-5-16/h2-7,14H,8-13H2,1H3,(H,21,25)
InChIKeyYRYGFFDNQQVWDO-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.92
Rot. Bonds6

About 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide

5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 109183865) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID109183865
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C19H23FN4O2/c1-26-13-8-21-19(25)18-7-6-17(14-22-18)24-11-9-23(10-12-24)16-4-2-15(20)3-5-16/h2-7,14H,8-13H2,1H3,(H,21,25)
InChIKeyYRYGFFDNQQVWDO-UHFFFAOYSA-N
XLogP1.92
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.92
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-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183834
N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide
CID 166082465
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 109179488
5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109186778
N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109187850
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184245
N-(3-methoxypropyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183419
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N'-(2-methoxyethyl)oxamide
CID 42268631
N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109182203
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109103429
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187509

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide (CID 109183865) is 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide is COCCNC(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is YRYGFFDNQQVWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-26-13-8-21-19(25)18-7-6-17(14-22-18)24-11-9-23(10-12-24)16-4-2-15(20)3-5-16/h2-7,14H,8-13H2,1H3,(H,21,25).
What are the key properties of 5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide?
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 1.92, 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)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109183865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).