N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide

C12H13N3O3 — CID 121059019

IUPACN-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide
SMILESCc1ccc(=O)n(CCNC(=O)c2ccco2)n1
InChIInChI=1S/C12H13N3O3/c1-9-4-5-11(16)15(14-9)7-6-13-12(17)10-3-2-8-18-10/h2-5,8H,6-7H2,1H3,(H,13,17)
InChIKeySJZFGSYKOMUJDT-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.57
Rot. Bonds4

About N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide

N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide (PubChem CID 121059019) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide
PubChem CID121059019
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide
SMILESCc1ccc(=O)n(CCNC(=O)c2ccco2)n1
InChIInChI=1S/C12H13N3O3/c1-9-4-5-11(16)15(14-9)7-6-13-12(17)10-3-2-8-18-10/h2-5,8H,6-7H2,1H3,(H,13,17)
InChIKeySJZFGSYKOMUJDT-UHFFFAOYSA-N
XLogP0.57
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058925
2-[2-[1-(furan-2-yl)ethylamino]ethyl]-6-methylpyridazin-3-one
CID 62924452
2-(4-bromophenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 121058930
3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058993
2-(4-methylbenzoyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058915
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-nitrobenzamide
CID 121058935
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182050
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-3,5-dinitrobenzamide
CID 121059074
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182049
6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
CID 62923541
N-[(4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carboxamide
CID 676921
2-(4-ethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 121058886

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide (CID 121059019) is N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide is Cc1ccc(=O)n(CCNC(=O)c2ccco2)n1.
What is the InChIKey of N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide?
The InChIKey is SJZFGSYKOMUJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-9-4-5-11(16)15(14-9)7-6-13-12(17)10-3-2-8-18-10/h2-5,8H,6-7H2,1H3,(H,13,17).
What are the key properties of N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide?
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 121059019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).