N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide

C23H22F3N5O3 — CID 90461412

IUPACN-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1
InChIInChI=1S/C23H22F3N5O3/c1-14-3-4-17(28-21(32)15-9-16(13-27-12-15)23(24,25)26)10-18(14)19-11-20(22(33)30(2)29-19)31-5-7-34-8-6-31/h3-4,9-13H,5-8H2,1-2H3,(H,28,32)
InChIKeyZCLTTZZAFRHYQD-UHFFFAOYSA-N
MW473.46 g/mol
LogP3.26
Rot. Bonds4

About N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide

N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 90461412) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID90461412
Molecular FormulaC23H22F3N5O3
Molecular Weight473.46 g/mol
Exact Mass473.17
IUPAC NameN-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1
InChIInChI=1S/C23H22F3N5O3/c1-14-3-4-17(28-21(32)15-9-16(13-27-12-15)23(24,25)26)10-18(14)19-11-20(22(33)30(2)29-19)31-5-7-34-8-6-31/h3-4,9-13H,5-8H2,1-2H3,(H,28,32)
InChIKeyZCLTTZZAFRHYQD-UHFFFAOYSA-N
XLogP3.26
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 90461412) is N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1.
What is the InChIKey of N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZCLTTZZAFRHYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O3/c1-14-3-4-17(28-21(32)15-9-16(13-27-12-15)23(24,25)26)10-18(14)19-11-20(22(33)30(2)29-19)31-5-7-34-8-6-31/h3-4,9-13H,5-8H2,1-2H3,(H,28,32).
What are the key properties of N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 473.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 90461412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).