N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclopropanecarboxamide

C16H19N3O2S — CID 16671438

IUPACN-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclopropanecarboxamide
SMILESCC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)C1CC1
InChIInChI=1S/C16H19N3O2S/c1-2-12(17-16(21)11-5-6-11)10-19-15(20)8-7-13(18-19)14-4-3-9-22-14/h3-4,7-9,11-12H,2,5-6,10H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyOFTYCOOYUYUBMW-GFCCVEGCSA-N
MW317.41 g/mol
LogP2.28
Rot. Bonds6

About N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclopropanecarboxamide

N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclopropanecarboxamide (PubChem CID 16671438) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclopropanecarboxamide
PubChem CID16671438
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclopropanecarboxamide
SMILESCC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)C1CC1
InChIInChI=1S/C16H19N3O2S/c1-2-12(17-16(21)11-5-6-11)10-19-15(20)8-7-13(18-19)14-4-3-9-22-14/h3-4,7-9,11-12H,2,5-6,10H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyOFTYCOOYUYUBMW-GFCCVEGCSA-N
XLogP2.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclopropanecarboxamide (CID 16671438) is N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclopropanecarboxamide is CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)C1CC1.
What is the InChIKey of N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclopropanecarboxamide?
The InChIKey is OFTYCOOYUYUBMW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-2-12(17-16(21)11-5-6-11)10-19-15(20)8-7-13(18-19)14-4-3-9-22-14/h3-4,7-9,11-12H,2,5-6,10H2,1H3,(H,17,21)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclopropanecarboxamide?
N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclopropanecarboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 16671438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).