6-[1-(1-benzofuran-2-yl)ethyl-methylamino]pyridazine-3-carboxamide

C16H16N4O2 — CID 133350776

IUPAC6-[1-(1-benzofuran-2-yl)ethyl-methylamino]pyridazine-3-carboxamide
SMILESCC(c1cc2ccccc2o1)N(C)c1ccc(C(N)=O)nn1
InChIInChI=1S/C16H16N4O2/c1-10(14-9-11-5-3-4-6-13(11)22-14)20(2)15-8-7-12(16(17)21)18-19-15/h3-10H,1-2H3,(H2,17,21)
InChIKeyMEOAFYBABLIKEP-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.52
Rot. Bonds4

About 6-[1-(1-benzofuran-2-yl)ethyl-methylamino]pyridazine-3-carboxamide

6-[1-(1-benzofuran-2-yl)ethyl-methylamino]pyridazine-3-carboxamide (PubChem CID 133350776) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 6-[1-(1-benzofuran-2-yl)ethyl-methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(1-benzofuran-2-yl)ethyl-methylamino]pyridazine-3-carboxamide
PubChem CID133350776
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name6-[1-(1-benzofuran-2-yl)ethyl-methylamino]pyridazine-3-carboxamide
SMILESCC(c1cc2ccccc2o1)N(C)c1ccc(C(N)=O)nn1
InChIInChI=1S/C16H16N4O2/c1-10(14-9-11-5-3-4-6-13(11)22-14)20(2)15-8-7-12(16(17)21)18-19-15/h3-10H,1-2H3,(H2,17,21)
InChIKeyMEOAFYBABLIKEP-UHFFFAOYSA-N
XLogP2.52
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
CID 133433679
N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133350806
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide
CID 61164290
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
CID 46551068
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133350787
N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
CID 115588204
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyrazine-2-carboxamide
CID 46550839
2-[[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 60503344
N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide
CID 46551193
N-[1-(1-benzofuran-2-yl)ethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 134054336
2-(1-aminocyclobutyl)-N-[1-(1-benzofuran-2-yl)ethyl]-N-methylacetamide
CID 79844029

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-benzofuran-2-yl)ethyl-methylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-[1-(1-benzofuran-2-yl)ethyl-methylamino]pyridazine-3-carboxamide (CID 133350776) is 6-[1-(1-benzofuran-2-yl)ethyl-methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[1-(1-benzofuran-2-yl)ethyl-methylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[1-(1-benzofuran-2-yl)ethyl-methylamino]pyridazine-3-carboxamide is CC(c1cc2ccccc2o1)N(C)c1ccc(C(N)=O)nn1.
What is the InChIKey of 6-[1-(1-benzofuran-2-yl)ethyl-methylamino]pyridazine-3-carboxamide?
The InChIKey is MEOAFYBABLIKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10(14-9-11-5-3-4-6-13(11)22-14)20(2)15-8-7-12(16(17)21)18-19-15/h3-10H,1-2H3,(H2,17,21).
What are the key properties of 6-[1-(1-benzofuran-2-yl)ethyl-methylamino]pyridazine-3-carboxamide?
6-[1-(1-benzofuran-2-yl)ethyl-methylamino]pyridazine-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-benzofuran-2-yl)ethyl-methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 133350776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).