N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide

C20H22N4O2S — CID 125447855

IUPACN-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide
SMILESCNc1ccc(-c2cccc(C(=O)NC[C@H](CO)Cc3ccsc3)c2)nn1
InChIInChI=1S/C20H22N4O2S/c1-21-19-6-5-18(23-24-19)16-3-2-4-17(10-16)20(26)22-11-15(12-25)9-14-7-8-27-13-14/h2-8,10,13,15,25H,9,11-12H2,1H3,(H,21,24)(H,22,26)/t15-/m1/s1
InChIKeyJCDJMVNXIDVKJD-OAHLLOKOSA-N
MW382.49 g/mol
LogP2.83
Rot. Bonds8

About N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide

N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide (PubChem CID 125447855) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide
PubChem CID125447855
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide
SMILESCNc1ccc(-c2cccc(C(=O)NC[C@H](CO)Cc3ccsc3)c2)nn1
InChIInChI=1S/C20H22N4O2S/c1-21-19-6-5-18(23-24-19)16-3-2-4-17(10-16)20(26)22-11-15(12-25)9-14-7-8-27-13-14/h2-8,10,13,15,25H,9,11-12H2,1H3,(H,21,24)(H,22,26)/t15-/m1/s1
InChIKeyJCDJMVNXIDVKJD-OAHLLOKOSA-N
XLogP2.83
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide
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2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide
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N-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
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N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
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N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide
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3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide
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1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide
CID 98350764
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[6-(ethylamino)pyridazin-3-yl]benzamide
CID 125447810
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[6-(ethylamino)pyridazin-3-yl]benzamide
CID 122571839
3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide
CID 50815961
N-[(5-methylfuran-2-yl)methyl]-3-[(6-thiophen-3-ylpyridazin-3-yl)amino]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide?
The IUPAC name of N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide (CID 125447855) is N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide is CNc1ccc(-c2cccc(C(=O)NC[C@H](CO)Cc3ccsc3)c2)nn1.
What is the InChIKey of N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide?
The InChIKey is JCDJMVNXIDVKJD-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-21-19-6-5-18(23-24-19)16-3-2-4-17(10-16)20(26)22-11-15(12-25)9-14-7-8-27-13-14/h2-8,10,13,15,25H,9,11-12H2,1H3,(H,21,24)(H,22,26)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide?
N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide has a molecular weight of 382.49 g/mol, XLogP of 2.83, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 125447855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).