N-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide

C19H21N5O2 — CID 113049661

IUPACN-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)c3ccco3)nn2)cc1
InChIInChI=1S/C19H21N5O2/c1-3-24(4-2)15-9-7-14(8-10-15)20-17-11-12-18(23-22-17)21-19(25)16-6-5-13-26-16/h5-13H,3-4H2,1-2H3,(H,20,22)(H,21,23,25)
InChIKeyYGWAFTCDADXPHM-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.91
Rot. Bonds7

About N-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide

N-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide (PubChem CID 113049661) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide
PubChem CID113049661
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)c3ccco3)nn2)cc1
InChIInChI=1S/C19H21N5O2/c1-3-24(4-2)15-9-7-14(8-10-15)20-17-11-12-18(23-22-17)21-19(25)16-6-5-13-26-16/h5-13H,3-4H2,1-2H3,(H,20,22)(H,21,23,25)
InChIKeyYGWAFTCDADXPHM-UHFFFAOYSA-N
XLogP3.91
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113047767
N-[6-(2-ethyl-6-methylanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113046884
6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121704
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide
CID 91676108
N-[6-[4-chloro-3-(trifluoromethyl)anilino]pyridazin-3-yl]furan-2-carboxamide
CID 113050628
6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121189
1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea
CID 113049683
N-cyclopropyl-6-[4-(diethylamino)anilino]pyridazine-3-carboxamide
CID 109110139
6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
CID 109126267
N-[5-(butanoylamino)-2-pyridinyl]furan-2-carboxamide
CID 1452808

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide (CID 113049661) is N-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide is CCN(CC)c1ccc(Nc2ccc(NC(=O)c3ccco3)nn2)cc1.
What is the InChIKey of N-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide?
The InChIKey is YGWAFTCDADXPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-3-24(4-2)15-9-7-14(8-10-15)20-17-11-12-18(23-22-17)21-19(25)16-6-5-13-26-16/h5-13H,3-4H2,1-2H3,(H,20,22)(H,21,23,25).
What are the key properties of N-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide?
N-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 113049661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).