N-[[2-(4-cyanopiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)pyridine-3-carboxamide

C22H20FN5OS — CID 69168470

IUPACN-[[2-(4-cyanopiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESN#CC1CCN(c2nc(CN(C(=O)c3cccnc3)c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C22H20FN5OS/c23-18-3-5-20(6-4-18)28(21(29)17-2-1-9-25-13-17)14-19-15-30-22(26-19)27-10-7-16(12-24)8-11-27/h1-6,9,13,15-16H,7-8,10-11,14H2
InChIKeyNNUDGVVPBRGKEE-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.26
Rot. Bonds5

About N-[[2-(4-cyanopiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)pyridine-3-carboxamide

N-[[2-(4-cyanopiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 69168470) has the molecular formula C22H20FN5OS and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[[2-(4-cyanopiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-cyanopiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID69168470
Molecular FormulaC22H20FN5OS
Molecular Weight421.50 g/mol
Exact Mass421.14
IUPAC NameN-[[2-(4-cyanopiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESN#CC1CCN(c2nc(CN(C(=O)c3cccnc3)c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C22H20FN5OS/c23-18-3-5-20(6-4-18)28(21(29)17-2-1-9-25-13-17)14-19-15-30-22(26-19)27-10-7-16(12-24)8-11-27/h1-6,9,13,15-16H,7-8,10-11,14H2
InChIKeyNNUDGVVPBRGKEE-UHFFFAOYSA-N
XLogP4.26
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[2-(4-cyanopiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-cyanopiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[[2-(4-cyanopiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)pyridine-3-carboxamide (CID 69168470) is N-[[2-(4-cyanopiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(4-cyanopiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[2-(4-cyanopiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)pyridine-3-carboxamide is N#CC1CCN(c2nc(CN(C(=O)c3cccnc3)c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of N-[[2-(4-cyanopiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is NNUDGVVPBRGKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5OS/c23-18-3-5-20(6-4-18)28(21(29)17-2-1-9-25-13-17)14-19-15-30-22(26-19)27-10-7-16(12-24)8-11-27/h1-6,9,13,15-16H,7-8,10-11,14H2.
What are the key properties of N-[[2-(4-cyanopiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
N-[[2-(4-cyanopiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-cyanopiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 69168470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).