N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5-ethylfuran-2-carboxamide

C16H21N3O3 — CID 71968957

IUPACN-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NCc2c(CC)c(CC)n[nH]c2=O)o1
InChIInChI=1S/C16H21N3O3/c1-4-10-7-8-14(22-10)16(21)17-9-12-11(5-2)13(6-3)18-19-15(12)20/h7-8H,4-6,9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyKULVAKUAYSHEAX-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.98
Rot. Bonds6

About N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5-ethylfuran-2-carboxamide

N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5-ethylfuran-2-carboxamide (PubChem CID 71968957) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5-ethylfuran-2-carboxamide
PubChem CID71968957
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NCc2c(CC)c(CC)n[nH]c2=O)o1
InChIInChI=1S/C16H21N3O3/c1-4-10-7-8-14(22-10)16(21)17-9-12-11(5-2)13(6-3)18-19-15(12)20/h7-8H,4-6,9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyKULVAKUAYSHEAX-UHFFFAOYSA-N
XLogP1.98
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 120552216
N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 71911491
3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide
CID 120873070
3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-3-phenylpropanamide
CID 167840250
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
5-ethyl-N-(3-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65034203
N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide
CID 115636695
1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 166212514
3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide
CID 71853824
N-(2-bromoprop-2-enyl)-5-ethylfuran-2-carboxamide
CID 115594455
5-ethyl-N-(3-iodopropyl)furan-2-carboxamide
CID 114504288
N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide
CID 112726773

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5-ethylfuran-2-carboxamide?
The IUPAC name of N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5-ethylfuran-2-carboxamide (CID 71968957) is N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)NCc2c(CC)c(CC)n[nH]c2=O)o1.
What is the InChIKey of N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5-ethylfuran-2-carboxamide?
The InChIKey is KULVAKUAYSHEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-10-7-8-14(22-10)16(21)17-9-12-11(5-2)13(6-3)18-19-15(12)20/h7-8H,4-6,9H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5-ethylfuran-2-carboxamide?
N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5-ethylfuran-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 71968957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).