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

C17H23N5OS — CID 95764484

IUPAC2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)CNC[C@@H]1CCCN1c1cccnn1)c1cccs1
InChIInChI=1S/C17H23N5OS/c1-13(15-6-4-10-24-15)20-17(23)12-18-11-14-5-3-9-22(14)16-7-2-8-19-21-16/h2,4,6-8,10,13-14,18H,3,5,9,11-12H2,1H3,(H,20,23)/t13-,14+/m1/s1
InChIKeyDNPLQPDMUWEEKF-KGLIPLIRSA-N
MW345.47 g/mol
LogP1.97
Rot. Bonds7

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

2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide (PubChem CID 95764484) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
PubChem CID95764484
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)CNC[C@@H]1CCCN1c1cccnn1)c1cccs1
InChIInChI=1S/C17H23N5OS/c1-13(15-6-4-10-24-15)20-17(23)12-18-11-14-5-3-9-22(14)16-7-2-8-19-21-16/h2,4,6-8,10,13-14,18H,3,5,9,11-12H2,1H3,(H,20,23)/t13-,14+/m1/s1
InChIKeyDNPLQPDMUWEEKF-KGLIPLIRSA-N
XLogP1.97
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.97
H-Bond Donors ≤ 52
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
N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600131
N-methyl-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 95757611
N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600155
N-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 97028778
2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
CID 95610324
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119928547
(2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 95600206
(2S)-1-morpholin-4-yl-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-1-one
CID 129370384
N-[(1S)-1-(furan-2-yl)ethyl]-2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]acetamide
CID 95600251
2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 95609320
N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-1-benzothiophene-3-carboxamide
CID 124885406

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide (CID 95764484) is 2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide is C[C@@H](NC(=O)CNC[C@@H]1CCCN1c1cccnn1)c1cccs1.
What is the InChIKey of 2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is DNPLQPDMUWEEKF-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-13(15-6-4-10-24-15)20-17(23)12-18-11-14-5-3-9-22(14)16-7-2-8-19-21-16/h2,4,6-8,10,13-14,18H,3,5,9,11-12H2,1H3,(H,20,23)/t13-,14+/m1/s1.
What are the key properties of 2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 95764484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).