N-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide

C22H25N5O2 — CID 109117644

IUPACN-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide
SMILESCC1CCN(c2ccc(Nc3ccc(C(=O)NCc4ccco4)nn3)cc2)CC1
InChIInChI=1S/C22H25N5O2/c1-16-10-12-27(13-11-16)18-6-4-17(5-7-18)24-21-9-8-20(25-26-21)22(28)23-15-19-3-2-14-29-19/h2-9,14,16H,10-13,15H2,1H3,(H,23,28)(H,24,26)
InChIKeyOBUOXUZQDIDBRT-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.98
Rot. Bonds6

About N-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide

N-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide (PubChem CID 109117644) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide
PubChem CID109117644
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide
SMILESCC1CCN(c2ccc(Nc3ccc(C(=O)NCc4ccco4)nn3)cc2)CC1
InChIInChI=1S/C22H25N5O2/c1-16-10-12-27(13-11-16)18-6-4-17(5-7-18)24-21-9-8-20(25-26-21)22(28)23-15-19-3-2-14-29-19/h2-9,14,16H,10-13,15H2,1H3,(H,23,28)(H,24,26)
InChIKeyOBUOXUZQDIDBRT-UHFFFAOYSA-N
XLogP3.98
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.98
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-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide
CID 109117643
6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide
CID 109109356
6-(cyclopropylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 109109812
N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide
CID 109187612
N-(furan-2-ylmethyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109117580
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline
CID 83949682
6-N-(furan-2-ylmethyl)-2-methyl-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112871445
6-(ethylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 62172875
N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide
CID 113049793
N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
CID 109169290
N-(furan-2-ylmethyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114455
6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109109946

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide (CID 109117644) is N-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide is CC1CCN(c2ccc(Nc3ccc(C(=O)NCc4ccco4)nn3)cc2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide?
The InChIKey is OBUOXUZQDIDBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-10-12-27(13-11-16)18-6-4-17(5-7-18)24-21-9-8-20(25-26-21)22(28)23-15-19-3-2-14-29-19/h2-9,14,16H,10-13,15H2,1H3,(H,23,28)(H,24,26).
What are the key properties of N-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide?
N-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 109117644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).