N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

C23H22F3N5O3 — CID 90408353

IUPACN-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1
InChIInChI=1S/C23H22F3N5O3/c1-14-18(19-12-20(22(33)30(2)29-19)31-6-8-34-9-7-31)11-17(13-27-14)28-21(32)15-4-3-5-16(10-15)23(24,25)26/h3-5,10-13H,6-9H2,1-2H3,(H,28,32)
InChIKeyKPZHLNWOKWZIHG-UHFFFAOYSA-N
MW473.46 g/mol
LogP3.26
Rot. Bonds4

About N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 90408353) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID90408353
Molecular FormulaC23H22F3N5O3
Molecular Weight473.46 g/mol
Exact Mass473.17
IUPAC NameN-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1
InChIInChI=1S/C23H22F3N5O3/c1-14-18(19-12-20(22(33)30(2)29-19)31-6-8-34-9-7-31)11-17(13-27-14)28-21(32)15-4-3-5-16(10-15)23(24,25)26/h3-5,10-13H,6-9H2,1-2H3,(H,28,32)
InChIKeyKPZHLNWOKWZIHG-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-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 90408353) is N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1.
What is the InChIKey of N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is KPZHLNWOKWZIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O3/c1-14-18(19-12-20(22(33)30(2)29-19)31-6-8-34-9-7-31)11-17(13-27-14)28-21(32)15-4-3-5-16(10-15)23(24,25)26/h3-5,10-13H,6-9H2,1-2H3,(H,28,32).
What are the key properties of N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide 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-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90408353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).