4-(3-fluorobenzoyl)-N-(6-pyridin-3-yloxy-3-pyridinyl)piperazine-1-carboxamide

C22H20FN5O3 — CID 25095036

IUPAC4-(3-fluorobenzoyl)-N-(6-pyridin-3-yloxy-3-pyridinyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)nc1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H20FN5O3/c23-17-4-1-3-16(13-17)21(29)27-9-11-28(12-10-27)22(30)26-18-6-7-20(25-14-18)31-19-5-2-8-24-15-19/h1-8,13-15H,9-12H2,(H,26,30)
InChIKeyAWLIMVMANDNAGU-UHFFFAOYSA-N
MW421.43 g/mol
LogP3.40
Rot. Bonds4

About 4-(3-fluorobenzoyl)-N-(6-pyridin-3-yloxy-3-pyridinyl)piperazine-1-carboxamide

4-(3-fluorobenzoyl)-N-(6-pyridin-3-yloxy-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 25095036) has the molecular formula C22H20FN5O3 and a molecular weight of 421.43 g/mol. Its IUPAC name is 4-(3-fluorobenzoyl)-N-(6-pyridin-3-yloxy-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-fluorobenzoyl)-N-(6-pyridin-3-yloxy-3-pyridinyl)piperazine-1-carboxamide
PubChem CID25095036
Molecular FormulaC22H20FN5O3
Molecular Weight421.43 g/mol
Exact Mass421.16
IUPAC Name4-(3-fluorobenzoyl)-N-(6-pyridin-3-yloxy-3-pyridinyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)nc1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H20FN5O3/c23-17-4-1-3-16(13-17)21(29)27-9-11-28(12-10-27)22(30)26-18-6-7-20(25-14-18)31-19-5-2-8-24-15-19/h1-8,13-15H,9-12H2,(H,26,30)
InChIKeyAWLIMVMANDNAGU-UHFFFAOYSA-N
XLogP3.40
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-fluorobenzoyl)-N-(6-pyridin-3-yloxy-3-pyridinyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 55743828
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 52627337
1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17223654
4-(3-fluorobenzoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperazine-1-carboxamide
CID 91544721
4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 55599513
4-(4-fluorobenzoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,4-diazepane-1-carboxamide
CID 112829411
N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 46157099
4-[2-fluoro-4-[[4-(3-fluorobenzoyl)piperazine-1-carbonyl]amino]phenyl]piperazine-1-carboxylic acid
CID 70850398
N-(3-fluorophenyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446453
4-(3-fluorobenzoyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 25094760
(4-cyclopropyl-1,4-diazepan-1-yl)-[6-(3-fluorophenoxy)-3-pyridinyl]methanone
CID 24771522
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobenzoyl)-N-(6-pyridin-3-yloxy-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-fluorobenzoyl)-N-(6-pyridin-3-yloxy-3-pyridinyl)piperazine-1-carboxamide (CID 25095036) is 4-(3-fluorobenzoyl)-N-(6-pyridin-3-yloxy-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-fluorobenzoyl)-N-(6-pyridin-3-yloxy-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-fluorobenzoyl)-N-(6-pyridin-3-yloxy-3-pyridinyl)piperazine-1-carboxamide is O=C(Nc1ccc(Oc2cccnc2)nc1)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 4-(3-fluorobenzoyl)-N-(6-pyridin-3-yloxy-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is AWLIMVMANDNAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3/c23-17-4-1-3-16(13-17)21(29)27-9-11-28(12-10-27)22(30)26-18-6-7-20(25-14-18)31-19-5-2-8-24-15-19/h1-8,13-15H,9-12H2,(H,26,30).
What are the key properties of 4-(3-fluorobenzoyl)-N-(6-pyridin-3-yloxy-3-pyridinyl)piperazine-1-carboxamide?
4-(3-fluorobenzoyl)-N-(6-pyridin-3-yloxy-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 421.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorobenzoyl)-N-(6-pyridin-3-yloxy-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 25095036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).