N-cyclopropyl-4-[6-(dimethylamino)pyridazin-3-yl]-N-(thiophen-3-ylmethyl)benzamide

C21H22N4OS — CID 119060388

IUPACN-cyclopropyl-4-[6-(dimethylamino)pyridazin-3-yl]-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(C)c1ccc(-c2ccc(C(=O)N(Cc3ccsc3)C3CC3)cc2)nn1
InChIInChI=1S/C21H22N4OS/c1-24(2)20-10-9-19(22-23-20)16-3-5-17(6-4-16)21(26)25(18-7-8-18)13-15-11-12-27-14-15/h3-6,9-12,14,18H,7-8,13H2,1-2H3
InChIKeyFSEXMPKUQOTJJL-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.08
Rot. Bonds6

About N-cyclopropyl-4-[6-(dimethylamino)pyridazin-3-yl]-N-(thiophen-3-ylmethyl)benzamide

N-cyclopropyl-4-[6-(dimethylamino)pyridazin-3-yl]-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 119060388) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-(dimethylamino)pyridazin-3-yl]-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-(dimethylamino)pyridazin-3-yl]-N-(thiophen-3-ylmethyl)benzamide
PubChem CID119060388
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC NameN-cyclopropyl-4-[6-(dimethylamino)pyridazin-3-yl]-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(C)c1ccc(-c2ccc(C(=O)N(Cc3ccsc3)C3CC3)cc2)nn1
InChIInChI=1S/C21H22N4OS/c1-24(2)20-10-9-19(22-23-20)16-3-5-17(6-4-16)21(26)25(18-7-8-18)13-15-11-12-27-14-15/h3-6,9-12,14,18H,7-8,13H2,1-2H3
InChIKeyFSEXMPKUQOTJJL-UHFFFAOYSA-N
XLogP4.08
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-(dimethylamino)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 51095237
N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 70729457
N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide
CID 61400460
N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 72717897
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide
CID 166280018
N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
CID 72717904
N-cyclopropyl-4-(6-methoxypyridazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 119074347
6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 113346712
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
N-cyclopropyl-3-[4-(methylamino)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)benzamide
CID 122565811
N-cyclopropyl-2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 62174755

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-(dimethylamino)pyridazin-3-yl]-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-4-[6-(dimethylamino)pyridazin-3-yl]-N-(thiophen-3-ylmethyl)benzamide (CID 119060388) is N-cyclopropyl-4-[6-(dimethylamino)pyridazin-3-yl]-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-(dimethylamino)pyridazin-3-yl]-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-[6-(dimethylamino)pyridazin-3-yl]-N-(thiophen-3-ylmethyl)benzamide is CN(C)c1ccc(-c2ccc(C(=O)N(Cc3ccsc3)C3CC3)cc2)nn1.
What is the InChIKey of N-cyclopropyl-4-[6-(dimethylamino)pyridazin-3-yl]-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is FSEXMPKUQOTJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-24(2)20-10-9-19(22-23-20)16-3-5-17(6-4-16)21(26)25(18-7-8-18)13-15-11-12-27-14-15/h3-6,9-12,14,18H,7-8,13H2,1-2H3.
What are the key properties of N-cyclopropyl-4-[6-(dimethylamino)pyridazin-3-yl]-N-(thiophen-3-ylmethyl)benzamide?
N-cyclopropyl-4-[6-(dimethylamino)pyridazin-3-yl]-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 378.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-(dimethylamino)pyridazin-3-yl]-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 119060388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).