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

C20H23FN4O3 — CID 109082360

IUPAC4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccn1
InChIInChI=1S/C20H23FN4O3/c1-28-13-8-23-19(26)17-14-15(6-7-22-17)20(27)25-11-9-24(10-12-25)18-5-3-2-4-16(18)21/h2-7,14H,8-13H2,1H3,(H,23,26)
InChIKeySIFLDERDYIAISF-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.56
Rot. Bonds6

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

4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 109082360) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID109082360
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccn1
InChIInChI=1S/C20H23FN4O3/c1-28-13-8-23-19(26)17-14-15(6-7-22-17)20(27)25-11-9-24(10-12-25)18-5-3-2-4-16(18)21/h2-7,14H,8-13H2,1H3,(H,23,26)
InChIKeySIFLDERDYIAISF-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

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299842
N-[2-(dimethylamino)ethyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109083438
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109152902
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone
CID 109342792
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 109275707
4-(4-acetylpiperazine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109084859
N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109082685
N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082639
N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080378
[2-(tert-butylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109174462
N-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109088442
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyethylamino)propan-1-one
CID 109015201

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-2-carboxamide (CID 109082360) is 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-2-carboxamide is COCCNC(=O)c1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccn1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is SIFLDERDYIAISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-28-13-8-23-19(26)17-14-15(6-7-22-17)20(27)25-11-9-24(10-12-25)18-5-3-2-4-16(18)21/h2-7,14H,8-13H2,1H3,(H,23,26).
What are the key properties of 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-2-carboxamide?
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-2-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 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109082360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).