N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide

C22H25N5O3S — CID 71795272

IUPACN-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)C3CCCN(c4ccc(=O)n(C)n4)C3)cs2)cc1
InChIInChI=1S/C22H25N5O3S/c1-26-20(28)10-9-19(25-26)27-11-3-4-16(13-27)21(29)23-12-17-14-31-22(24-17)15-5-7-18(30-2)8-6-15/h5-10,14,16H,3-4,11-13H2,1-2H3,(H,23,29)
InChIKeyPVDVMYULAVFSBX-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.45
Rot. Bonds6

About N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide

N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 71795272) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
PubChem CID71795272
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC NameN-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)C3CCCN(c4ccc(=O)n(C)n4)C3)cs2)cc1
InChIInChI=1S/C22H25N5O3S/c1-26-20(28)10-9-19(25-26)27-11-3-4-16(13-27)21(29)23-12-17-14-31-22(24-17)15-5-7-18(30-2)8-6-15/h5-10,14,16H,3-4,11-13H2,1-2H3,(H,23,29)
InChIKeyPVDVMYULAVFSBX-UHFFFAOYSA-N
XLogP2.45
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
CID 122262582
1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 71795251
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
CID 95985903
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 72719820
(3R)-1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 95069703
ethyl 2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 71795261
(3R)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxylic acid
CID 92669109
(3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95985916
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]piperidine-3-carboxamide
CID 121071163
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 90519752
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071510
N-[(2,5-dimethoxyphenyl)methyl]-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 53071111

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide (CID 71795272) is N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide is COc1ccc(-c2nc(CNC(=O)C3CCCN(c4ccc(=O)n(C)n4)C3)cs2)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is PVDVMYULAVFSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-26-20(28)10-9-19(25-26)27-11-3-4-16(13-27)21(29)23-12-17-14-31-22(24-17)15-5-7-18(30-2)8-6-15/h5-10,14,16H,3-4,11-13H2,1-2H3,(H,23,29).
What are the key properties of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide?
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 71795272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).