N-benzyl-N-pyridin-2-yl-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

C26H25N5OS — CID 121071748

IUPACN-benzyl-N-pyridin-2-yl-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(C1CCN(c2ccc(-c3cccs3)nn2)CC1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C26H25N5OS/c32-26(31(24-10-4-5-15-27-24)19-20-7-2-1-3-8-20)21-13-16-30(17-14-21)25-12-11-22(28-29-25)23-9-6-18-33-23/h1-12,15,18,21H,13-14,16-17,19H2
InChIKeyDPNMSSSUQHVERU-UHFFFAOYSA-N
MW455.59 g/mol
LogP5.05
Rot. Bonds6

About N-benzyl-N-pyridin-2-yl-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

N-benzyl-N-pyridin-2-yl-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 121071748) has the molecular formula C26H25N5OS and a molecular weight of 455.59 g/mol. Its IUPAC name is N-benzyl-N-pyridin-2-yl-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-pyridin-2-yl-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID121071748
Molecular FormulaC26H25N5OS
Molecular Weight455.59 g/mol
Exact Mass455.18
IUPAC NameN-benzyl-N-pyridin-2-yl-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(C1CCN(c2ccc(-c3cccs3)nn2)CC1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C26H25N5OS/c32-26(31(24-10-4-5-15-27-24)19-20-7-2-1-3-8-20)21-13-16-30(17-14-21)25-12-11-22(28-29-25)23-9-6-18-33-23/h1-12,15,18,21H,13-14,16-17,19H2
InChIKeyDPNMSSSUQHVERU-UHFFFAOYSA-N
XLogP5.05
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.59
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US10577360, Example 78
CID 132035754
US10577360, Example 80
CID 138585140
1-(6-(4-fluorophenyl)pyridazin-3-yl)-N-(thiazol-2-yl)piperidine-4-carboxamide
CID 30866798
5-(2-Methylphenyl)-2-(3-pyridinyl)-4-{1-[4-(2-thienyl)butanoyl]-4-piperidinyl}pyrimidine
CID 42322113
[5-Propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45166865
1-[2-(4-Fluorophenyl)pyrazolo[1,5-A]pyrazin-4-YL]-N-[(thiophen-2-YL)methyl]piperidine-4-carboxamide
CID 46346458
N-[(4-Fluorophenyl)methyl]-1-[2-(thiophen-2-YL)pyrazolo[1,5-A]pyrazin-4-YL]piperidine-4-carboxamide
CID 53086067
1-[4-(1-Methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 92421362
1-[3-(1-Methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110118654
N-(6-methylpyridin-2-yl)-1-[6-(thiophen-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 29576571
N-(1-Phenylethyl)-1-[2-(thiophen-2-YL)pyrazolo[1,5-A]pyrazin-4-YL]piperidine-4-carboxamide
CID 50797068
[1-(2-Methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 50839462

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-pyridin-2-yl-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-pyridin-2-yl-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 121071748) is N-benzyl-N-pyridin-2-yl-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-pyridin-2-yl-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-pyridin-2-yl-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide is O=C(C1CCN(c2ccc(-c3cccs3)nn2)CC1)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-N-pyridin-2-yl-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is DPNMSSSUQHVERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5OS/c32-26(31(24-10-4-5-15-27-24)19-20-7-2-1-3-8-20)21-13-16-30(17-14-21)25-12-11-22(28-29-25)23-9-6-18-33-23/h1-12,15,18,21H,13-14,16-17,19H2.
What are the key properties of N-benzyl-N-pyridin-2-yl-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-benzyl-N-pyridin-2-yl-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 455.59 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-pyridin-2-yl-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 121071748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).