N-methyl-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide

C17H23N5OS — CID 95757611

IUPACN-methyl-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CNC[C@@H]1CCCN1c1cccnn1
InChIInChI=1S/C17H23N5OS/c1-21(13-15-6-4-10-24-15)17(23)12-18-11-14-5-3-9-22(14)16-7-2-8-19-20-16/h2,4,6-8,10,14,18H,3,5,9,11-13H2,1H3/t14-/m0/s1
InChIKeyYCSQKKOPIOEVEZ-AWEZNQCLSA-N
MW345.47 g/mol
LogP1.76
Rot. Bonds7

About N-methyl-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide

N-methyl-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 95757611) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-methyl-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID95757611
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-methyl-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CNC[C@@H]1CCCN1c1cccnn1
InChIInChI=1S/C17H23N5OS/c1-21(13-15-6-4-10-24-15)17(23)12-18-11-14-5-3-9-22(14)16-7-2-8-19-20-16/h2,4,6-8,10,14,18H,3,5,9,11-13H2,1H3/t14-/m0/s1
InChIKeyYCSQKKOPIOEVEZ-AWEZNQCLSA-N
XLogP1.76
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 95764485
2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 95764484
N-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 97028778
N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600131
N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600155
2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
CID 95610324
1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]ethanone
CID 86894683
(2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 95600206
2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119807077
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
N-[4-[[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 95600224
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62467825

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 95757611) is N-methyl-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)CNC[C@@H]1CCCN1c1cccnn1.
What is the InChIKey of N-methyl-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YCSQKKOPIOEVEZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-21(13-15-6-4-10-24-15)17(23)12-18-11-14-5-3-9-22(14)16-7-2-8-19-20-16/h2,4,6-8,10,14,18H,3,5,9,11-13H2,1H3/t14-/m0/s1.
What are the key properties of N-methyl-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide?
N-methyl-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 95757611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).