N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide

C24H24F3N5O3 — CID 134609578

IUPACN-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)cnc2C)cc1C1CCOCC1
InChIInChI=1S/C24H24F3N5O3/c1-3-35-23-20(15-4-6-34-7-5-15)8-16(11-29-23)19-10-18(13-28-14(19)2)31-22(33)17-9-21(24(25,26)27)32-30-12-17/h8-13,15H,3-7H2,1-2H3,(H,31,33)
InChIKeyXPLCJCINVSLPKA-UHFFFAOYSA-N
MW487.48 g/mol
LogP4.81
Rot. Bonds6

About N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide

N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 134609578) has the molecular formula C24H24F3N5O3 and a molecular weight of 487.48 g/mol. Its IUPAC name is N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
PubChem CID134609578
Molecular FormulaC24H24F3N5O3
Molecular Weight487.48 g/mol
Exact Mass487.18
IUPAC NameN-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)cnc2C)cc1C1CCOCC1
InChIInChI=1S/C24H24F3N5O3/c1-3-35-23-20(15-4-6-34-7-5-15)8-16(11-29-23)19-10-18(13-28-14(19)2)31-22(33)17-9-21(24(25,26)27)32-30-12-17/h8-13,15H,3-7H2,1-2H3,(H,31,33)
InChIKeyXPLCJCINVSLPKA-UHFFFAOYSA-N
XLogP4.81
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide with MolForge

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Related Compounds

N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90407961
N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90456597
N-[3-(6-ethoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 90408627
N-[5-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90456250
N-(6'-ethoxy-2-methyl-5'-morpholino-[3,3'-bipyridin]-5-yl)-2-(2-fluoropropan-2-yl)isonicotinamide
CID 90456405
N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 90456408
N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 90456412
N-[3-(6-ethoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 90456442
2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)pyridin-3-yl]pyridine-4-carboxamide
CID 90456508
N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-ylpyridazin-3-yl]-6-methylpyridin-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 90456521
N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-ylpyridazin-3-yl]-6-methylpyridin-3-yl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide
CID 90456591
2-(1,1-difluoroethyl)-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 90456615

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The IUPAC name of N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 134609578) is N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The canonical SMILES for N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is CCOc1ncc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)cnc2C)cc1C1CCOCC1.
What is the InChIKey of N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The InChIKey is XPLCJCINVSLPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O3/c1-3-35-23-20(15-4-6-34-7-5-15)8-16(11-29-23)19-10-18(13-28-14(19)2)31-22(33)17-9-21(24(25,26)27)32-30-12-17/h8-13,15H,3-7H2,1-2H3,(H,31,33).
What are the key properties of N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide has a molecular weight of 487.48 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 134609578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).