N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide

C16H20N4O4 — CID 91894591

IUPACN-(furan-2-ylmethyl)-2-(2-methoxyethyl)-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
SMILESCOCCn1nc2c(cc1=O)CN(C(=O)NCc1ccco1)CC2
InChIInChI=1S/C16H20N4O4/c1-23-8-6-20-15(21)9-12-11-19(5-4-14(12)18-20)16(22)17-10-13-3-2-7-24-13/h2-3,7,9H,4-6,8,10-11H2,1H3,(H,17,22)
InChIKeyVRIJQRFIUPKQIZ-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.75
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide

N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide (PubChem CID 91894591) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-methoxyethyl)-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
PubChem CID91894591
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC NameN-(furan-2-ylmethyl)-2-(2-methoxyethyl)-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
SMILESCOCCn1nc2c(cc1=O)CN(C(=O)NCc1ccco1)CC2
InChIInChI=1S/C16H20N4O4/c1-23-8-6-20-15(21)9-12-11-19(5-4-14(12)18-20)16(22)17-10-13-3-2-7-24-13/h2-3,7,9H,4-6,8,10-11H2,1H3,(H,17,22)
InChIKeyVRIJQRFIUPKQIZ-UHFFFAOYSA-N
XLogP0.75
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 16645751
6-[4-(dimethylamino)benzoyl]-2-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 91894524
N-(furan-2-ylmethyl)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 70746578
2-methyl-N-[(4-methylphenyl)methyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
CID 91894577
N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053497
N,N-bis(furan-2-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 46599486
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
CID 109085025
tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 127575362
4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106510
N-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 154773668
(3R)-N-(furan-2-ylmethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94045963
4-(5-amino-1,2-oxazol-3-yl)-N-(furan-2-ylmethyl)piperidine-1-carboxamide
CID 53146630

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide (CID 91894591) is N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide is COCCn1nc2c(cc1=O)CN(C(=O)NCc1ccco1)CC2.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide?
The InChIKey is VRIJQRFIUPKQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-23-8-6-20-15(21)9-12-11-19(5-4-14(12)18-20)16(22)17-10-13-3-2-7-24-13/h2-3,7,9H,4-6,8,10-11H2,1H3,(H,17,22).
What are the key properties of N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide?
N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 91894591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).