N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide

C21H19F3N4O4 — CID 142410963

IUPACN-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
SMILESCOC[C@@H](CO)NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C21H19F3N4O4/c1-32-12-15(11-29)26-19(30)17-9-18(13-4-6-14(7-5-13)21(22,23)24)27-28(20(17)31)16-3-2-8-25-10-16/h2-10,15,29H,11-12H2,1H3,(H,26,30)/t15-/m1/s1
InChIKeyYGKDDAAGTXAGCU-OAHLLOKOSA-N
MW448.40 g/mol
LogP2.05
Rot. Bonds7

About N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide

N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide (PubChem CID 142410963) has the molecular formula C21H19F3N4O4 and a molecular weight of 448.40 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
PubChem CID142410963
Molecular FormulaC21H19F3N4O4
Molecular Weight448.40 g/mol
Exact Mass448.14
IUPAC NameN-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
SMILESCOC[C@@H](CO)NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C21H19F3N4O4/c1-32-12-15(11-29)26-19(30)17-9-18(13-4-6-14(7-5-13)21(22,23)24)27-28(20(17)31)16-3-2-8-25-10-16/h2-10,15,29H,11-12H2,1H3,(H,26,30)/t15-/m1/s1
InChIKeyYGKDDAAGTXAGCU-OAHLLOKOSA-N
XLogP2.05
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide (CID 142410963) is N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide is COC[C@@H](CO)NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nn(-c2cccnc2)c1=O.
What is the InChIKey of N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide?
The InChIKey is YGKDDAAGTXAGCU-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H19F3N4O4/c1-32-12-15(11-29)26-19(30)17-9-18(13-4-6-14(7-5-13)21(22,23)24)27-28(20(17)31)16-3-2-8-25-10-16/h2-10,15,29H,11-12H2,1H3,(H,26,30)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide?
N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide has a molecular weight of 448.40 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 142410963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).