(2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N,N-bis(prop-2-enyl)propanamide

C17H20N4O3 — CID 51496315

IUPAC(2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)[C@@H](C)n1nc(-c2ccco2)cc(N)c1=O
InChIInChI=1S/C17H20N4O3/c1-4-8-20(9-5-2)16(22)12(3)21-17(23)13(18)11-14(19-21)15-7-6-10-24-15/h4-7,10-12H,1-2,8-9,18H2,3H3/t12-/m1/s1
InChIKeyJTBLHDWYWJWZGQ-GFCCVEGCSA-N
MW328.37 g/mol
LogP1.85
Rot. Bonds7

About (2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N,N-bis(prop-2-enyl)propanamide

(2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N,N-bis(prop-2-enyl)propanamide (PubChem CID 51496315) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N,N-bis(prop-2-enyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N,N-bis(prop-2-enyl)propanamide
PubChem CID51496315
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)[C@@H](C)n1nc(-c2ccco2)cc(N)c1=O
InChIInChI=1S/C17H20N4O3/c1-4-8-20(9-5-2)16(22)12(3)21-17(23)13(18)11-14(19-21)15-7-6-10-24-15/h4-7,10-12H,1-2,8-9,18H2,3H3/t12-/m1/s1
InChIKeyJTBLHDWYWJWZGQ-GFCCVEGCSA-N
XLogP1.85
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-(3-methoxypropyl)propanamide
CID 51583817
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
(2S)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 51496285
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 51589118
N-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-methylpropanamide
CID 121076093
N-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide
CID 121076114
4-amino-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one
CID 51495017
(4aS,8aR)-4-[2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]-3,3-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-quinoxalin-2-one
CID 51592580
2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 46961366
ethyl 3-(furan-2-yl)-1-prop-2-enylpyrazole-5-carboxylate
CID 102529962
1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazol-5-amine
CID 61271706

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N,N-bis(prop-2-enyl)propanamide?
The IUPAC name of (2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N,N-bis(prop-2-enyl)propanamide (CID 51496315) is (2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N,N-bis(prop-2-enyl)propanamide.
What is the SMILES notation for (2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N,N-bis(prop-2-enyl)propanamide?
The canonical SMILES for (2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N,N-bis(prop-2-enyl)propanamide is C=CCN(CC=C)C(=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,N-bis(prop-2-enyl)propanamide?
The InChIKey is JTBLHDWYWJWZGQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-4-8-20(9-5-2)16(22)12(3)21-17(23)13(18)11-14(19-21)15-7-6-10-24-15/h4-7,10-12H,1-2,8-9,18H2,3H3/t12-/m1/s1.
What are the key properties of (2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N,N-bis(prop-2-enyl)propanamide?
(2R)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N,N-bis(prop-2-enyl)propanamide has a molecular weight of 328.37 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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,N-bis(prop-2-enyl)propanamide is sourced from PubChem (CID 51496315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).