N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide

C19H17F3N6O — CID 42111935

IUPACN-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCNc1ccc(Nc2ccncc2)nn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N6O/c20-19(21,22)14-3-1-13(2-4-14)18(29)25-12-11-24-16-5-6-17(28-27-16)26-15-7-9-23-10-8-15/h1-10H,11-12H2,(H,24,27)(H,25,29)(H,23,26,28)
InChIKeyAAJBJBARVPMPAO-UHFFFAOYSA-N
MW402.38 g/mol
LogP3.48
Rot. Bonds7

About N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide

N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 42111935) has the molecular formula C19H17F3N6O and a molecular weight of 402.38 g/mol. Its IUPAC name is N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID42111935
Molecular FormulaC19H17F3N6O
Molecular Weight402.38 g/mol
Exact Mass402.14
IUPAC NameN-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCNc1ccc(Nc2ccncc2)nn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N6O/c20-19(21,22)14-3-1-13(2-4-14)18(29)25-12-11-24-16-5-6-17(28-27-16)26-15-7-9-23-10-8-15/h1-10H,11-12H2,(H,24,27)(H,25,29)(H,23,26,28)
InChIKeyAAJBJBARVPMPAO-UHFFFAOYSA-N
XLogP3.48
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 53.48
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

4-fluoro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700102
4-chloro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700446
4-iodo-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121065155
4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 122289215
3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56699027
N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 50947431
N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide
CID 122289061
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 56919617
1-(4-tert-butylphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 122289294
3-fluoro-4-methoxy-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 122289154
2-(4-fluorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 121065151
2-chloro-6-fluoro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700402

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide (CID 42111935) is N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide is O=C(NCCNc1ccc(Nc2ccncc2)nn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is AAJBJBARVPMPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O/c20-19(21,22)14-3-1-13(2-4-14)18(29)25-12-11-24-16-5-6-17(28-27-16)26-15-7-9-23-10-8-15/h1-10H,11-12H2,(H,24,27)(H,25,29)(H,23,26,28).
What are the key properties of N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 402.38 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 42111935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).