N-methyl-4-[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]pyridazin-4-yl]pyridine-2-carboxamide

C25H19F3N6O2 — CID 168930642

IUPACN-methyl-4-[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]pyridazin-4-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cnnc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c2)ccn1
InChIInChI=1S/C25H19F3N6O2/c1-14-3-4-18(33-23(35)16-6-8-31-22(11-16)25(26,27)28)12-19(14)20-10-17(13-32-34-20)15-5-7-30-21(9-15)24(36)29-2/h3-13H,1-2H3,(H,29,36)(H,33,35)
InChIKeyCXAUSJVHFXPKAJ-UHFFFAOYSA-N
MW492.46 g/mol
LogP4.54
Rot. Bonds5

About N-methyl-4-[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]pyridazin-4-yl]pyridine-2-carboxamide

N-methyl-4-[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]pyridazin-4-yl]pyridine-2-carboxamide (PubChem CID 168930642) has the molecular formula C25H19F3N6O2 and a molecular weight of 492.46 g/mol. Its IUPAC name is N-methyl-4-[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]pyridazin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]pyridazin-4-yl]pyridine-2-carboxamide
PubChem CID168930642
Molecular FormulaC25H19F3N6O2
Molecular Weight492.46 g/mol
Exact Mass492.15
IUPAC NameN-methyl-4-[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]pyridazin-4-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cnnc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c2)ccn1
InChIInChI=1S/C25H19F3N6O2/c1-14-3-4-18(33-23(35)16-6-8-31-22(11-16)25(26,27)28)12-19(14)20-10-17(13-32-34-20)15-5-7-30-21(9-15)24(36)29-2/h3-13H,1-2H3,(H,29,36)(H,33,35)
InChIKeyCXAUSJVHFXPKAJ-UHFFFAOYSA-N
XLogP4.54
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.46
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]pyridazin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]pyridazin-4-yl]pyridine-2-carboxamide (CID 168930642) is N-methyl-4-[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]pyridazin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]pyridazin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]pyridazin-4-yl]pyridine-2-carboxamide is CNC(=O)c1cc(-c2cnnc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c2)ccn1.
What is the InChIKey of N-methyl-4-[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]pyridazin-4-yl]pyridine-2-carboxamide?
The InChIKey is CXAUSJVHFXPKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O2/c1-14-3-4-18(33-23(35)16-6-8-31-22(11-16)25(26,27)28)12-19(14)20-10-17(13-32-34-20)15-5-7-30-21(9-15)24(36)29-2/h3-13H,1-2H3,(H,29,36)(H,33,35).
What are the key properties of N-methyl-4-[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]pyridazin-4-yl]pyridine-2-carboxamide?
N-methyl-4-[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]pyridazin-4-yl]pyridine-2-carboxamide has a molecular weight of 492.46 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]pyridazin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 168930642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).