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

C22H20F3N5O2 — CID 86296509

IUPACN-[6-methyl-5-(5-morpholin-4-ylpyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)cnn1
InChIInChI=1S/C22H20F3N5O2/c1-14-19(20-11-18(13-27-29-20)30-5-7-32-8-6-30)10-17(12-26-14)28-21(31)15-3-2-4-16(9-15)22(23,24)25/h2-4,9-13H,5-8H2,1H3,(H,28,31)
InChIKeyCHLVIYONHNDXJY-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.95
Rot. Bonds4

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

N-[6-methyl-5-(5-morpholin-4-ylpyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 86296509) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[6-methyl-5-(5-morpholin-4-ylpyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-methyl-5-(5-morpholin-4-ylpyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID86296509
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC NameN-[6-methyl-5-(5-morpholin-4-ylpyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)cnn1
InChIInChI=1S/C22H20F3N5O2/c1-14-19(20-11-18(13-27-29-20)30-5-7-32-8-6-30)10-17(12-26-14)28-21(31)15-3-2-4-16(9-15)22(23,24)25/h2-4,9-13H,5-8H2,1H3,(H,28,31)
InChIKeyCHLVIYONHNDXJY-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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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-(5-morpholin-4-ylpyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-methyl-5-(5-morpholin-4-ylpyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 86296509) is N-[6-methyl-5-(5-morpholin-4-ylpyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-methyl-5-(5-morpholin-4-ylpyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-methyl-5-(5-morpholin-4-ylpyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)cnn1.
What is the InChIKey of N-[6-methyl-5-(5-morpholin-4-ylpyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is CHLVIYONHNDXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c1-14-19(20-11-18(13-27-29-20)30-5-7-32-8-6-30)10-17(12-26-14)28-21(31)15-3-2-4-16(9-15)22(23,24)25/h2-4,9-13H,5-8H2,1H3,(H,28,31).
What are the key properties of N-[6-methyl-5-(5-morpholin-4-ylpyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[6-methyl-5-(5-morpholin-4-ylpyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide 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-[6-methyl-5-(5-morpholin-4-ylpyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 86296509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).