4-(1-acetylpiperidin-4-yl)oxy-N-[(4-chlorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyridine-2-carboxamide

C23H23ClN4O3S — CID 167154116

IUPAC4-(1-acetylpiperidin-4-yl)oxy-N-[(4-chlorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyridine-2-carboxamide
SMILESCC(=O)N1CCC(Oc2cc(C(=O)NCc3ccc(Cl)cc3)ncc2-c2ccsn2)CC1
InChIInChI=1S/C23H23ClN4O3S/c1-15(29)28-9-6-18(7-10-28)31-22-12-21(25-14-19(22)20-8-11-32-27-20)23(30)26-13-16-2-4-17(24)5-3-16/h2-5,8,11-12,14,18H,6-7,9-10,13H2,1H3,(H,26,30)
InChIKeyRABCJXYLDWGPGX-UHFFFAOYSA-N
MW470.98 g/mol
LogP4.18
Rot. Bonds6

About 4-(1-acetylpiperidin-4-yl)oxy-N-[(4-chlorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyridine-2-carboxamide

4-(1-acetylpiperidin-4-yl)oxy-N-[(4-chlorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyridine-2-carboxamide (PubChem CID 167154116) has the molecular formula C23H23ClN4O3S and a molecular weight of 470.98 g/mol. Its IUPAC name is 4-(1-acetylpiperidin-4-yl)oxy-N-[(4-chlorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1-acetylpiperidin-4-yl)oxy-N-[(4-chlorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyridine-2-carboxamide
PubChem CID167154116
Molecular FormulaC23H23ClN4O3S
Molecular Weight470.98 g/mol
Exact Mass470.12
IUPAC Name4-(1-acetylpiperidin-4-yl)oxy-N-[(4-chlorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyridine-2-carboxamide
SMILESCC(=O)N1CCC(Oc2cc(C(=O)NCc3ccc(Cl)cc3)ncc2-c2ccsn2)CC1
InChIInChI=1S/C23H23ClN4O3S/c1-15(29)28-9-6-18(7-10-28)31-22-12-21(25-14-19(22)20-8-11-32-27-20)23(30)26-13-16-2-4-17(24)5-3-16/h2-5,8,11-12,14,18H,6-7,9-10,13H2,1H3,(H,26,30)
InChIKeyRABCJXYLDWGPGX-UHFFFAOYSA-N
XLogP4.18
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1-acetylpiperidin-4-yl)oxy-N-[(4-chlorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyridine-2-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

methyl 4-[[5-bromo-2-[(4-chlorophenyl)methylcarbamoyl]-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 164564588
4-(1-acetylpiperidin-4-yl)oxy-5-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
CID 174020365
4-[[(7S,8aS)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]oxy]-N-[(4-chlorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 170938966
4-[[(7S,8aS)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]oxy]-N-[(4-chlorophenyl)methyl]-5-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxamide
CID 170938938
1-[4-[[2-[1-[(4-methylphenyl)methylamino]ethenyl]-5-(1,2-thiazol-4-yl)-4-pyridinyl]oxy]piperidin-1-yl]ethanone
CID 164564491
4-[[(7S,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl]oxy]-N-[(4-chlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 170938834
4-[[(7S,8aS)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]oxy]-N-[(4-chlorophenyl)methyl]-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 170939030
4-[[(7S,8aS)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]oxy]-N-[(4-chlorophenyl)methyl]-5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 170939032
4-[[(7S,8aS)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]oxy]-N-[(4-chlorophenyl)methyl]-5-ethynylpyridine-2-carboxamide
CID 170938985
4-[[(2S,9aR)-6-oxo-1,2,3,4,7,8,9,9a-octahydroquinolizin-2-yl]oxy]-N-[(4-chlorophenyl)methyl]-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 170938897
4-[[(7S,8aS)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]oxy]-N-[(4-chlorophenyl)methyl]-5-(3-hydroxyazetidin-1-yl)pyridine-2-carboxamide
CID 170938810
4-[[(8S,9aS)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-8-yl]oxy]-5-bromo-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
CID 170938861

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylpiperidin-4-yl)oxy-N-[(4-chlorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 4-(1-acetylpiperidin-4-yl)oxy-N-[(4-chlorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyridine-2-carboxamide (CID 167154116) is 4-(1-acetylpiperidin-4-yl)oxy-N-[(4-chlorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(1-acetylpiperidin-4-yl)oxy-N-[(4-chlorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(1-acetylpiperidin-4-yl)oxy-N-[(4-chlorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyridine-2-carboxamide is CC(=O)N1CCC(Oc2cc(C(=O)NCc3ccc(Cl)cc3)ncc2-c2ccsn2)CC1.
What is the InChIKey of 4-(1-acetylpiperidin-4-yl)oxy-N-[(4-chlorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyridine-2-carboxamide?
The InChIKey is RABCJXYLDWGPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3S/c1-15(29)28-9-6-18(7-10-28)31-22-12-21(25-14-19(22)20-8-11-32-27-20)23(30)26-13-16-2-4-17(24)5-3-16/h2-5,8,11-12,14,18H,6-7,9-10,13H2,1H3,(H,26,30).
What are the key properties of 4-(1-acetylpiperidin-4-yl)oxy-N-[(4-chlorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyridine-2-carboxamide?
4-(1-acetylpiperidin-4-yl)oxy-N-[(4-chlorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyridine-2-carboxamide has a molecular weight of 470.98 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylpiperidin-4-yl)oxy-N-[(4-chlorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 167154116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).