N-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide

C21H23N5O2 — CID 109117643

IUPACN-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(Nc2ccc(N3CCCCC3)cc2)nn1
InChIInChI=1S/C21H23N5O2/c27-21(22-15-18-5-4-14-28-18)19-10-11-20(25-24-19)23-16-6-8-17(9-7-16)26-12-2-1-3-13-26/h4-11,14H,1-3,12-13,15H2,(H,22,27)(H,23,25)
InChIKeyMINZQKHPUGMGQR-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.73
Rot. Bonds6

About N-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide

N-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide (PubChem CID 109117643) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide
PubChem CID109117643
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(Nc2ccc(N3CCCCC3)cc2)nn1
InChIInChI=1S/C21H23N5O2/c27-21(22-15-18-5-4-14-28-18)19-10-11-20(25-24-19)23-16-6-8-17(9-7-16)26-12-2-1-3-13-26/h4-11,14H,1-3,12-13,15H2,(H,22,27)(H,23,25)
InChIKeyMINZQKHPUGMGQR-UHFFFAOYSA-N
XLogP3.73
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide
CID 109117644
N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
CID 109169290
N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405
4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209338
6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109126609
1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109046634
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)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114455
6-(cyclopropylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 109109812
6-(ethylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 62172875
1-(furan-2-ylmethyl)-3-(4-piperidin-1-ylphenyl)thiourea
CID 8626316

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide (CID 109117643) is N-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide is O=C(NCc1ccco1)c1ccc(Nc2ccc(N3CCCCC3)cc2)nn1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide?
The InChIKey is MINZQKHPUGMGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-21(22-15-18-5-4-14-28-18)19-10-11-20(25-24-19)23-16-6-8-17(9-7-16)26-12-2-1-3-13-26/h4-11,14H,1-3,12-13,15H2,(H,22,27)(H,23,25).
What are the key properties of N-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide?
N-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.73, 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-piperidin-1-ylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109117643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).