1-(4-fluorophenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropane-1-carboxamide

C21H21FN6O — CID 122289421

IUPAC1-(4-fluorophenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCNc1ccc(Nc2cccnc2)nn1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN6O/c22-16-5-3-15(4-6-16)21(9-10-21)20(29)25-13-12-24-18-7-8-19(28-27-18)26-17-2-1-11-23-14-17/h1-8,11,14H,9-10,12-13H2,(H,24,27)(H,25,29)(H,26,28)
InChIKeyPEKAGAFCDRSZHO-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.01
Rot. Bonds8

About 1-(4-fluorophenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropane-1-carboxamide (PubChem CID 122289421) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropane-1-carboxamide
PubChem CID122289421
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name1-(4-fluorophenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCNc1ccc(Nc2cccnc2)nn1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN6O/c22-16-5-3-15(4-6-16)21(9-10-21)20(29)25-13-12-24-18-7-8-19(28-27-18)26-17-2-1-11-23-14-17/h1-8,11,14H,9-10,12-13H2,(H,24,27)(H,25,29)(H,26,28)
InChIKeyPEKAGAFCDRSZHO-UHFFFAOYSA-N
XLogP3.01
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide
CID 122289299
4-chloro-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121066456
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 122320851
2-(4-fluorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 121065151
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 51155660
3-bromo-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121066486
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
N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 121066468
2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 121066481
4-fluoro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700102
N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide
CID 122289354

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropane-1-carboxamide (CID 122289421) is 1-(4-fluorophenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropane-1-carboxamide is O=C(NCCNc1ccc(Nc2cccnc2)nn1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropane-1-carboxamide?
The InChIKey is PEKAGAFCDRSZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c22-16-5-3-15(4-6-16)21(9-10-21)20(29)25-13-12-24-18-7-8-19(28-27-18)26-17-2-1-11-23-14-17/h1-8,11,14H,9-10,12-13H2,(H,24,27)(H,25,29)(H,26,28).
What are the key properties of 1-(4-fluorophenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropane-1-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 122289421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).