2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide

C16H21N5OS — CID 95349268

IUPAC2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN[C@@H]1CCCN(c2cccnn2)C1)NCc1cccs1
InChIInChI=1S/C16H21N5OS/c22-16(18-10-14-5-3-9-23-14)11-17-13-4-2-8-21(12-13)15-6-1-7-19-20-15/h1,3,5-7,9,13,17H,2,4,8,10-12H2,(H,18,22)/t13-/m1/s1
InChIKeyJIXZBFYEZPRJPZ-CYBMUJFWSA-N
MW331.45 g/mol
LogP1.41
Rot. Bonds6

About 2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide

2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 95349268) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID95349268
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN[C@@H]1CCCN(c2cccnn2)C1)NCc1cccs1
InChIInChI=1S/C16H21N5OS/c22-16(18-10-14-5-3-9-23-14)11-17-13-4-2-8-21(12-13)15-6-1-7-19-20-15/h1,3,5-7,9,13,17H,2,4,8,10-12H2,(H,18,22)/t13-/m1/s1
InChIKeyJIXZBFYEZPRJPZ-CYBMUJFWSA-N
XLogP1.41
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
CID 95344749
N-[(3R)-2-oxoazepan-3-yl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
CID 95599997
(3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95331275
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 154747903
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
CID 95336593
N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-3-thiophen-2-ylpropanamide
CID 125013076
N-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide
CID 95337777
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
(3S)-1-(6-chloropyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 51983817
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 95349268) is 2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN[C@@H]1CCCN(c2cccnn2)C1)NCc1cccs1.
What is the InChIKey of 2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is JIXZBFYEZPRJPZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5OS/c22-16(18-10-14-5-3-9-23-14)11-17-13-4-2-8-21(12-13)15-6-1-7-19-20-15/h1,3,5-7,9,13,17H,2,4,8,10-12H2,(H,18,22)/t13-/m1/s1.
What are the key properties of 2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 331.45 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 95349268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).