N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide

C18H19N3O3 — CID 94486607

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide
SMILESCCCN(C(=O)c1ccc(=O)[nH]n1)[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C18H19N3O3/c1-3-10-21(18(23)14-8-9-17(22)20-19-14)12(2)16-11-13-6-4-5-7-15(13)24-16/h4-9,11-12H,3,10H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyXBOOLDLMWWGNQG-GFCCVEGCSA-N
MW325.37 g/mol
LogP3.13
Rot. Bonds5

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide (PubChem CID 94486607) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide
PubChem CID94486607
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide
SMILESCCCN(C(=O)c1ccc(=O)[nH]n1)[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C18H19N3O3/c1-3-10-21(18(23)14-8-9-17(22)20-19-14)12(2)16-11-13-6-4-5-7-15(13)24-16/h4-9,11-12H,3,10H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyXBOOLDLMWWGNQG-GFCCVEGCSA-N
XLogP3.13
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
CID 166219967
N-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide
CID 60569015
N-[1-(1-benzofuran-2-yl)ethyl]-1-oxido-N-propylpyridin-1-ium-2-carboxamide
CID 75493606
2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide
CID 94486660
6-oxo-N-pentyl-N-propan-2-yl-1H-pyridazine-3-carboxamide
CID 103616206
(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propylpiperidine-3-carboxamide
CID 94486704
(2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide
CID 94486627
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide
CID 94486629
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide
CID 60574738
N-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine
CID 55905246
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide
CID 60575299
N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride
CID 119750740

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide (CID 94486607) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide is CCCN(C(=O)c1ccc(=O)[nH]n1)[C@H](C)c1cc2ccccc2o1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide?
The InChIKey is XBOOLDLMWWGNQG-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-10-21(18(23)14-8-9-17(22)20-19-14)12(2)16-11-13-6-4-5-7-15(13)24-16/h4-9,11-12H,3,10H2,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 94486607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).