(2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide

C15H20N4O4 — CID 51583817

IUPAC(2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)[C@@H](C)n1nc(-c2ccco2)cc(N)c1=O
InChIInChI=1S/C15H20N4O4/c1-10(14(20)17-6-4-7-22-2)19-15(21)11(16)9-12(18-19)13-5-3-8-23-13/h3,5,8-10H,4,6-7,16H2,1-2H3,(H,17,20)/t10-/m1/s1
InChIKeyGXAVJJDQAAKSMN-SNVBAGLBSA-N
MW320.35 g/mol
LogP0.80
Rot. Bonds7

About (2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide

(2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide (PubChem CID 51583817) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is (2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide
PubChem CID51583817
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name(2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)[C@@H](C)n1nc(-c2ccco2)cc(N)c1=O
InChIInChI=1S/C15H20N4O4/c1-10(14(20)17-6-4-7-22-2)19-15(21)11(16)9-12(18-19)13-5-3-8-23-13/h3,5,8-10H,4,6-7,16H2,1-2H3,(H,17,20)/t10-/m1/s1
InChIKeyGXAVJJDQAAKSMN-SNVBAGLBSA-N
XLogP0.80
TPSA112.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 46961338
(2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N,N-bis(prop-2-enyl)propanamide
CID 51496315
(2S)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 51496285
4-amino-2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 51496299
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 121076062
N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537426
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 51589118
2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide
CID 60783044
2-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55489403
2-amino-6-(furan-2-yl)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 11737091
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 121075999

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide?
The IUPAC name of (2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide (CID 51583817) is (2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for (2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for (2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)[C@@H](C)n1nc(-c2ccco2)cc(N)c1=O.
What is the InChIKey of (2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide?
The InChIKey is GXAVJJDQAAKSMN-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-10(14(20)17-6-4-7-22-2)19-15(21)11(16)9-12(18-19)13-5-3-8-23-13/h3,5,8-10H,4,6-7,16H2,1-2H3,(H,17,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide?
(2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide has a molecular weight of 320.35 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 51583817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).