N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide

C20H19F3N6O — CID 56919617

IUPACN-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(Nc2ccc(NCCNC(=O)c3ccc(C(F)(F)F)cc3)nn2)nc1
InChIInChI=1S/C20H19F3N6O/c1-13-2-7-16(26-12-13)27-18-9-8-17(28-29-18)24-10-11-25-19(30)14-3-5-15(6-4-14)20(21,22)23/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,30)(H,26,27,29)
InChIKeyGCNTUEUAIGGYIA-UHFFFAOYSA-N
MW416.41 g/mol
LogP3.78
Rot. Bonds7

About N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide

N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 56919617) has the molecular formula C20H19F3N6O and a molecular weight of 416.41 g/mol. Its IUPAC name is N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID56919617
Molecular FormulaC20H19F3N6O
Molecular Weight416.41 g/mol
Exact Mass416.16
IUPAC NameN-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(Nc2ccc(NCCNC(=O)c3ccc(C(F)(F)F)cc3)nn2)nc1
InChIInChI=1S/C20H19F3N6O/c1-13-2-7-16(26-12-13)27-18-9-8-17(28-29-18)24-10-11-25-19(30)14-3-5-15(6-4-14)20(21,22)23/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,30)(H,26,27,29)
InChIKeyGCNTUEUAIGGYIA-UHFFFAOYSA-N
XLogP3.78
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 53.78
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-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 70702534
N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 50947431
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide
CID 122326918
4-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]ethyl]benzamide
CID 60965045
N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 42111935
2-methoxy-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide
CID 122326966
5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide
CID 122326959
4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 122326956
4-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423305
1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide
CID 122326916
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide
CID 122326948
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide
CID 122326850

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide (CID 56919617) is N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide is Cc1ccc(Nc2ccc(NCCNC(=O)c3ccc(C(F)(F)F)cc3)nn2)nc1.
What is the InChIKey of N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is GCNTUEUAIGGYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O/c1-13-2-7-16(26-12-13)27-18-9-8-17(28-29-18)24-10-11-25-19(30)14-3-5-15(6-4-14)20(21,22)23/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,30)(H,26,27,29).
What are the key properties of N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 416.41 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 56919617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).