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

C22H27FN4O2 — CID 109106697

IUPAC5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1cncc(C(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C22H27FN4O2/c1-2-3-6-9-25-21(28)17-14-18(16-24-15-17)22(29)27-12-10-26(11-13-27)20-8-5-4-7-19(20)23/h4-5,7-8,14-16H,2-3,6,9-13H2,1H3,(H,25,28)
InChIKeyOLYZGYATLQYFCV-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.10
Rot. Bonds7

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

5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide (PubChem CID 109106697) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
PubChem CID109106697
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1cncc(C(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C22H27FN4O2/c1-2-3-6-9-25-21(28)17-14-18(16-24-15-17)22(29)27-12-10-26(11-13-27)20-8-5-4-7-19(20)23/h4-5,7-8,14-16H,2-3,6,9-13H2,1H3,(H,25,28)
InChIKeyOLYZGYATLQYFCV-UHFFFAOYSA-N
XLogP3.10
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109104067
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106571
N-butyl-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109101971
N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109102347
N-tert-butyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109106695
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide
CID 109262108
5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide
CID 109101958
[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109229318
5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109104556
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230282
5-(4-ethylpiperazine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109104543
[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 110756069

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide?
The IUPAC name of 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide (CID 109106697) is 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide?
The canonical SMILES for 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide is CCCCCNC(=O)c1cncc(C(=O)N2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide?
The InChIKey is OLYZGYATLQYFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-2-3-6-9-25-21(28)17-14-18(16-24-15-17)22(29)27-12-10-26(11-13-27)20-8-5-4-7-19(20)23/h4-5,7-8,14-16H,2-3,6,9-13H2,1H3,(H,25,28).
What are the key properties of 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide?
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide is sourced from PubChem (CID 109106697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).