N,N-dimethyl-5-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide

C18H24N4O3S — CID 45248019

IUPACN,N-dimethyl-5-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(C2CCCN2C(=O)CCC2=NNC(=O)CC2)s1
InChIInChI=1S/C18H24N4O3S/c1-21(2)18(25)15-8-7-14(26-15)13-4-3-11-22(13)17(24)10-6-12-5-9-16(23)20-19-12/h7-8,13H,3-6,9-11H2,1-2H3,(H,20,23)
InChIKeyUSUPDTXHQJETRA-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.16
Rot. Bonds5

About N,N-dimethyl-5-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide

N,N-dimethyl-5-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 45248019) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N,N-dimethyl-5-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID45248019
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN,N-dimethyl-5-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(C2CCCN2C(=O)CCC2=NNC(=O)CC2)s1
InChIInChI=1S/C18H24N4O3S/c1-21(2)18(25)15-8-7-14(26-15)13-4-3-11-22(13)17(24)10-6-12-5-9-16(23)20-19-12/h7-8,13H,3-6,9-11H2,1-2H3,(H,20,23)
InChIKeyUSUPDTXHQJETRA-UHFFFAOYSA-N
XLogP2.16
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide (CID 45248019) is N,N-dimethyl-5-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide is CN(C)C(=O)c1ccc(C2CCCN2C(=O)CCC2=NNC(=O)CC2)s1.
What is the InChIKey of N,N-dimethyl-5-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is USUPDTXHQJETRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-21(2)18(25)15-8-7-14(26-15)13-4-3-11-22(13)17(24)10-6-12-5-9-16(23)20-19-12/h7-8,13H,3-6,9-11H2,1-2H3,(H,20,23).
What are the key properties of N,N-dimethyl-5-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
N,N-dimethyl-5-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45248019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).