N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide

C20H18N6O2 — CID 122289354

IUPACN-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCNc1ccc(Nc2cccnc2)nn1)c1cc2ccccc2o1
InChIInChI=1S/C20H18N6O2/c27-20(17-12-14-4-1-2-6-16(14)28-17)23-11-10-22-18-7-8-19(26-25-18)24-15-5-3-9-21-13-15/h1-9,12-13H,10-11H2,(H,22,25)(H,23,27)(H,24,26)
InChIKeyZBMNVOKZVGKTLB-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.20
Rot. Bonds7

About N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide

N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide (PubChem CID 122289354) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide
PubChem CID122289354
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCNc1ccc(Nc2cccnc2)nn1)c1cc2ccccc2o1
InChIInChI=1S/C20H18N6O2/c27-20(17-12-14-4-1-2-6-16(14)28-17)23-11-10-22-18-7-8-19(26-25-18)24-15-5-3-9-21-13-15/h1-9,12-13H,10-11H2,(H,22,25)(H,23,27)(H,24,26)
InChIKeyZBMNVOKZVGKTLB-UHFFFAOYSA-N
XLogP3.20
TPSA104.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121066456
3-bromo-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121066486
N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 121066468
N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide
CID 122289299
5-(furan-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
CID 122289324
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1-benzofuran-2-carboxamide
CID 122314281
2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122289366
3-(4-methoxyphenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]propanamide
CID 122289361
2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 121066481
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
1-(4-fluorophenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropane-1-carboxamide
CID 122289421
N-(3-iodopropyl)-1-benzofuran-2-carboxamide
CID 114504013

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide (CID 122289354) is N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide is O=C(NCCNc1ccc(Nc2cccnc2)nn1)c1cc2ccccc2o1.
What is the InChIKey of N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is ZBMNVOKZVGKTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c27-20(17-12-14-4-1-2-6-16(14)28-17)23-11-10-22-18-7-8-19(26-25-18)24-15-5-3-9-21-13-15/h1-9,12-13H,10-11H2,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide?
N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 122289354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).