N-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide

C22H20F3N5O2 — CID 176803173

IUPACN-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)cnn2)cc1-c1cncc(N2CCOCC2)c1
InChIInChI=1S/C22H20F3N5O2/c1-14-2-3-17(28-21(31)20-9-16(12-27-29-20)22(23,24)25)10-19(14)15-8-18(13-26-11-15)30-4-6-32-7-5-30/h2-3,8-13H,4-7H2,1H3,(H,28,31)
InChIKeyQKQVTCLRMGKNKP-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.95
Rot. Bonds4

About N-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide

N-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide (PubChem CID 176803173) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
PubChem CID176803173
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC NameN-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)cnn2)cc1-c1cncc(N2CCOCC2)c1
InChIInChI=1S/C22H20F3N5O2/c1-14-2-3-17(28-21(31)20-9-16(12-27-29-20)22(23,24)25)10-19(14)15-8-18(13-26-11-15)30-4-6-32-7-5-30/h2-3,8-13H,4-7H2,1H3,(H,28,31)
InChIKeyQKQVTCLRMGKNKP-UHFFFAOYSA-N
XLogP3.95
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176803184
N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176803148
5-methyl-N-[4-methyl-3-(6-morpholin-4-ylpyrazin-2-yl)phenyl]pyridazine-3-carboxamide
CID 177153123
5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide
CID 176803137
N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228634
N-[4-methyl-3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]-5-propan-2-ylpyridazine-3-carboxamide
CID 176803150
N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176565448
N-[4-methyl-3-[2-[2-[(1-methylcyclobutanecarbonyl)amino]-4-pyridinyl]-4-pyridinyl]phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176572492
3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide
CID 90408857
N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 90461223
4-methyl-3-[(3S)-1-(5-morpholin-4-yl-3-pyridinyl)pyrrolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170256408
[(2R)-2-hydroxy-3-[[4-[2-methyl-5-[[4-(trifluoromethyl)pyridine-2-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]propyl] dihydrogen phosphate
CID 118938853

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide?
The IUPAC name of N-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide (CID 176803173) is N-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2cc(C(F)(F)F)cnn2)cc1-c1cncc(N2CCOCC2)c1.
What is the InChIKey of N-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide?
The InChIKey is QKQVTCLRMGKNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c1-14-2-3-17(28-21(31)20-9-16(12-27-29-20)22(23,24)25)10-19(14)15-8-18(13-26-11-15)30-4-6-32-7-5-30/h2-3,8-13H,4-7H2,1H3,(H,28,31).
What are the key properties of N-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide?
N-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 176803173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).