N-(1-benzofuran-2-ylmethyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide

C16H15N3O3 — CID 166219967

IUPACN-(1-benzofuran-2-ylmethyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(Cc1cc2ccccc2o1)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H15N3O3/c1-2-19(16(21)13-7-8-15(20)18-17-13)10-12-9-11-5-3-4-6-14(11)22-12/h3-9H,2,10H2,1H3,(H,18,20)
InChIKeyBPWAWZJCODENHG-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.18
Rot. Bonds4

About N-(1-benzofuran-2-ylmethyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide

N-(1-benzofuran-2-ylmethyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 166219967) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID166219967
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-(1-benzofuran-2-ylmethyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(Cc1cc2ccccc2o1)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H15N3O3/c1-2-19(16(21)13-7-8-15(20)18-17-13)10-12-9-11-5-3-4-6-14(11)22-12/h3-9H,2,10H2,1H3,(H,18,20)
InChIKeyBPWAWZJCODENHG-UHFFFAOYSA-N
XLogP2.18
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide (CID 166219967) is N-(1-benzofuran-2-ylmethyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide is CCN(Cc1cc2ccccc2o1)C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is BPWAWZJCODENHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-2-19(16(21)13-7-8-15(20)18-17-13)10-12-9-11-5-3-4-6-14(11)22-12/h3-9H,2,10H2,1H3,(H,18,20).
What are the key properties of N-(1-benzofuran-2-ylmethyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide?
N-(1-benzofuran-2-ylmethyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 166219967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).