N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide

C25H19F3N6O2 — CID 169024741

IUPACN-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4cnnc(C(F)(F)F)c4)ccc3C)ccn2)ccn1
InChIInChI=1S/C25H19F3N6O2/c1-14-3-4-18(33-23(35)17-11-22(25(26,27)28)34-32-13-17)12-19(14)15-5-7-30-20(9-15)16-6-8-31-21(10-16)24(36)29-2/h3-13H,1-2H3,(H,29,36)(H,33,35)
InChIKeyZKJKEZPOKXABFA-UHFFFAOYSA-N
MW492.46 g/mol
LogP4.54
Rot. Bonds5

About N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide

N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 169024741) has the molecular formula C25H19F3N6O2 and a molecular weight of 492.46 g/mol. Its IUPAC name is N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
PubChem CID169024741
Molecular FormulaC25H19F3N6O2
Molecular Weight492.46 g/mol
Exact Mass492.15
IUPAC NameN-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4cnnc(C(F)(F)F)c4)ccc3C)ccn2)ccn1
InChIInChI=1S/C25H19F3N6O2/c1-14-3-4-18(33-23(35)17-11-22(25(26,27)28)34-32-13-17)12-19(14)15-5-7-30-20(9-15)16-6-8-31-21(10-16)24(36)29-2/h3-13H,1-2H3,(H,29,36)(H,33,35)
InChIKeyZKJKEZPOKXABFA-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-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 169024741) is N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is CNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4cnnc(C(F)(F)F)c4)ccc3C)ccn2)ccn1.
What is the InChIKey of N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The InChIKey is ZKJKEZPOKXABFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O2/c1-14-3-4-18(33-23(35)17-11-22(25(26,27)28)34-32-13-17)12-19(14)15-5-7-30-20(9-15)16-6-8-31-21(10-16)24(36)29-2/h3-13H,1-2H3,(H,29,36)(H,33,35).
What are the key properties of N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-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-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 169024741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).