(3-methylpyridazin-4-yl)-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone

C18H16F3N3O — CID 167948500

IUPAC(3-methylpyridazin-4-yl)-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCc1nnccc1C(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H16F3N3O/c1-12-14(6-9-22-23-12)17(25)24-10-7-13(8-11-24)15-4-2-3-5-16(15)18(19,20)21/h2-7,9H,8,10-11H2,1H3
InChIKeyGBZVDDRLYRYBRW-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.73
Rot. Bonds2

About (3-methylpyridazin-4-yl)-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone

(3-methylpyridazin-4-yl)-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 167948500) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is (3-methylpyridazin-4-yl)-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylpyridazin-4-yl)-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID167948500
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name(3-methylpyridazin-4-yl)-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCc1nnccc1C(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H16F3N3O/c1-12-14(6-9-22-23-12)17(25)24-10-7-13(8-11-24)15-4-2-3-5-16(15)18(19,20)21/h2-7,9H,8,10-11H2,1H3
InChIKeyGBZVDDRLYRYBRW-UHFFFAOYSA-N
XLogP3.73
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylpyridazin-4-yl)-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (3-methylpyridazin-4-yl)-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 167948500) is (3-methylpyridazin-4-yl)-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (3-methylpyridazin-4-yl)-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (3-methylpyridazin-4-yl)-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone is Cc1nnccc1C(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of (3-methylpyridazin-4-yl)-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is GBZVDDRLYRYBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-12-14(6-9-22-23-12)17(25)24-10-7-13(8-11-24)15-4-2-3-5-16(15)18(19,20)21/h2-7,9H,8,10-11H2,1H3.
What are the key properties of (3-methylpyridazin-4-yl)-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
(3-methylpyridazin-4-yl)-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 347.34 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyridazin-4-yl)-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 167948500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).