5-(methylamino)-N-[2-(4-piperazin-1-ylphenyl)ethyl]furo[2,3-c]pyridazine-3-carboxamide

C20H24N6O2 — CID 168959392

IUPAC5-(methylamino)-N-[2-(4-piperazin-1-ylphenyl)ethyl]furo[2,3-c]pyridazine-3-carboxamide
SMILESCNc1coc2nnc(C(=O)NCCc3ccc(N4CCNCC4)cc3)cc12
InChIInChI=1S/C20H24N6O2/c1-21-18-13-28-20-16(18)12-17(24-25-20)19(27)23-7-6-14-2-4-15(5-3-14)26-10-8-22-9-11-26/h2-5,12-13,21-22H,6-11H2,1H3,(H,23,27)
InChIKeyFTURHMRVHRTIJK-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.65
Rot. Bonds6

About 5-(methylamino)-N-[2-(4-piperazin-1-ylphenyl)ethyl]furo[2,3-c]pyridazine-3-carboxamide

5-(methylamino)-N-[2-(4-piperazin-1-ylphenyl)ethyl]furo[2,3-c]pyridazine-3-carboxamide (PubChem CID 168959392) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-(methylamino)-N-[2-(4-piperazin-1-ylphenyl)ethyl]furo[2,3-c]pyridazine-3-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-[2-(4-piperazin-1-ylphenyl)ethyl]furo[2,3-c]pyridazine-3-carboxamide
PubChem CID168959392
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name5-(methylamino)-N-[2-(4-piperazin-1-ylphenyl)ethyl]furo[2,3-c]pyridazine-3-carboxamide
SMILESCNc1coc2nnc(C(=O)NCCc3ccc(N4CCNCC4)cc3)cc12
InChIInChI=1S/C20H24N6O2/c1-21-18-13-28-20-16(18)12-17(24-25-20)19(27)23-7-6-14-2-4-15(5-3-14)26-10-8-22-9-11-26/h2-5,12-13,21-22H,6-11H2,1H3,(H,23,27)
InChIKeyFTURHMRVHRTIJK-UHFFFAOYSA-N
XLogP1.65
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

7-ethyl-4-(methylamino)-N-[2-(4-piperazin-1-ylphenyl)ethyl]pyrrolo[2,3-c]pyridazine-3-carboxamide
CID 177269665
2-(4-cyano-2,6-dimethylphenyl)-N-[2-(4-piperazin-1-ylphenyl)ethyl]acetamide
CID 166286647
4-(cyanomethyl)-N-[2-(4-piperazin-1-ylphenyl)ethyl]-5-propan-2-ylpyrrolo[2,3-d][1,3]thiazole-2-carboxamide
CID 168958574
5-bromo-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]furan-2-carboxamide
CID 16889512
N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide
CID 166082465
N-[2-(2-oxoimidazolidin-4-yl)ethyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 11486606
1-[4-(2-methoxyethyl)phenyl]piperazine
CID 170986156
N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 155586911
N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182753
4-morpholin-4-yl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109206585
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110295138
5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109186778

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-[2-(4-piperazin-1-ylphenyl)ethyl]furo[2,3-c]pyridazine-3-carboxamide?
The IUPAC name of 5-(methylamino)-N-[2-(4-piperazin-1-ylphenyl)ethyl]furo[2,3-c]pyridazine-3-carboxamide (CID 168959392) is 5-(methylamino)-N-[2-(4-piperazin-1-ylphenyl)ethyl]furo[2,3-c]pyridazine-3-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-[2-(4-piperazin-1-ylphenyl)ethyl]furo[2,3-c]pyridazine-3-carboxamide?
The canonical SMILES for 5-(methylamino)-N-[2-(4-piperazin-1-ylphenyl)ethyl]furo[2,3-c]pyridazine-3-carboxamide is CNc1coc2nnc(C(=O)NCCc3ccc(N4CCNCC4)cc3)cc12.
What is the InChIKey of 5-(methylamino)-N-[2-(4-piperazin-1-ylphenyl)ethyl]furo[2,3-c]pyridazine-3-carboxamide?
The InChIKey is FTURHMRVHRTIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-21-18-13-28-20-16(18)12-17(24-25-20)19(27)23-7-6-14-2-4-15(5-3-14)26-10-8-22-9-11-26/h2-5,12-13,21-22H,6-11H2,1H3,(H,23,27).
What are the key properties of 5-(methylamino)-N-[2-(4-piperazin-1-ylphenyl)ethyl]furo[2,3-c]pyridazine-3-carboxamide?
5-(methylamino)-N-[2-(4-piperazin-1-ylphenyl)ethyl]furo[2,3-c]pyridazine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-[2-(4-piperazin-1-ylphenyl)ethyl]furo[2,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 168959392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).