5-chloro-6-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide

C30H35ClFN5O2 — CID 11526863

IUPAC5-chloro-6-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cnc(N2CCN(C3CCN(Cc4ccc(F)cc4)CC3)CC2)c(Cl)c1
InChIInChI=1S/C30H35ClFN5O2/c31-28-20-24(30(38)33-12-19-39-27-4-2-1-3-5-27)21-34-29(28)37-17-15-36(16-18-37)26-10-13-35(14-11-26)22-23-6-8-25(32)9-7-23/h1-9,20-21,26H,10-19,22H2,(H,33,38)
InChIKeyULSKMUIVQZPBAT-UHFFFAOYSA-N
MW552.09 g/mol
LogP4.47
Rot. Bonds9

About 5-chloro-6-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide

5-chloro-6-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide (PubChem CID 11526863) has the molecular formula C30H35ClFN5O2 and a molecular weight of 552.09 g/mol. Its IUPAC name is 5-chloro-6-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide
PubChem CID11526863
Molecular FormulaC30H35ClFN5O2
Molecular Weight552.09 g/mol
Exact Mass551.25
IUPAC Name5-chloro-6-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cnc(N2CCN(C3CCN(Cc4ccc(F)cc4)CC3)CC2)c(Cl)c1
InChIInChI=1S/C30H35ClFN5O2/c31-28-20-24(30(38)33-12-19-39-27-4-2-1-3-5-27)21-34-29(28)37-17-15-36(16-18-37)26-10-13-35(14-11-26)22-23-6-8-25(32)9-7-23/h1-9,20-21,26H,10-19,22H2,(H,33,38)
InChIKeyULSKMUIVQZPBAT-UHFFFAOYSA-N
XLogP4.47
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.09
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-chloro-6-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-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

5-(4-Butoxy-3-chlorophenyl)-N-[[2-(4-morpholinyl)-3-pyridinyl]methyl]-3-pyridinecarboxamide
CID 46919335
5-Chloro-2-ethyl-13-(2-fluorophenoxymethyl)-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470679
5-Chloro-2-ethyl-13-(4-fluorophenoxymethyl)-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470681
2-[[3-(Trifluoromethyl)phenyl]amino]-N-[3-[4-(2-isopropoxyphenyl)piperazine-1-yl]-2-hydroxypropyl]-3-pyridinecarboxamide
CID 9915752
N,N-dimethyl-2-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10552132
2-[3-[4-[2-(2,2-dimethylpropoxy)phenyl]piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10647341
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10787790
5-[(4-Fluoranyl-3-Phenoxy-Phenyl)methylamino]-~{n}-Methyl-6-[(1-Pyridin-2-Ylpiperidin-4-Yl)amino]pyridine-3-Carboxamide
CID 122391194
2-anilino-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide
CID 44586102
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 44586127
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 44586128
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 44586135

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide (CID 11526863) is 5-chloro-6-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide is O=C(NCCOc1ccccc1)c1cnc(N2CCN(C3CCN(Cc4ccc(F)cc4)CC3)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide?
The InChIKey is ULSKMUIVQZPBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClFN5O2/c31-28-20-24(30(38)33-12-19-39-27-4-2-1-3-5-27)21-34-29(28)37-17-15-36(16-18-37)26-10-13-35(14-11-26)22-23-6-8-25(32)9-7-23/h1-9,20-21,26H,10-19,22H2,(H,33,38).
What are the key properties of 5-chloro-6-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide?
5-chloro-6-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide has a molecular weight of 552.09 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 11526863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).