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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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).