5-methyl-N-[1-[2-methyl-6-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxamide

C22H26F4N4O3 — CID 146731737

IUPAC5-methyl-N-[1-[2-methyl-6-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxamide
SMILESCc1cc(C(C)NC(=O)c2cc(C)c(OCC(F)(F)C(F)F)nn2)cc(CC(=O)C(C)C)n1
InChIInChI=1S/C22H26F4N4O3/c1-11(2)18(31)9-16-8-15(7-13(4)27-16)14(5)28-19(32)17-6-12(3)20(30-29-17)33-10-22(25,26)21(23)24/h6-8,11,14,21H,9-10H2,1-5H3,(H,28,32)
InChIKeyRICOUPDBFGFTRB-UHFFFAOYSA-N
MW470.47 g/mol
LogP4.03
Rot. Bonds10

About 5-methyl-N-[1-[2-methyl-6-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxamide

5-methyl-N-[1-[2-methyl-6-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxamide (PubChem CID 146731737) has the molecular formula C22H26F4N4O3 and a molecular weight of 470.47 g/mol. Its IUPAC name is 5-methyl-N-[1-[2-methyl-6-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-[2-methyl-6-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxamide
PubChem CID146731737
Molecular FormulaC22H26F4N4O3
Molecular Weight470.47 g/mol
Exact Mass470.19
IUPAC Name5-methyl-N-[1-[2-methyl-6-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxamide
SMILESCc1cc(C(C)NC(=O)c2cc(C)c(OCC(F)(F)C(F)F)nn2)cc(CC(=O)C(C)C)n1
InChIInChI=1S/C22H26F4N4O3/c1-11(2)18(31)9-16-8-15(7-13(4)27-16)14(5)28-19(32)17-6-12(3)20(30-29-17)33-10-22(25,26)21(23)24/h6-8,11,14,21H,9-10H2,1-5H3,(H,28,32)
InChIKeyRICOUPDBFGFTRB-UHFFFAOYSA-N
XLogP4.03
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 158102449
N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine-3-carboxamide
CID 159042117
N-[1-[6-(2,2-difluoroethoxy)-5-methoxy-3-pyridinyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 159797383
2-methylpropan-2-amine;N-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 162621501
N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 161085351
3-chloro-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 157398028
2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide
CID 148558699
2-(2,2-difluoroethoxy)-N-[1-(2-methyl-4-pyridinyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 138673157
2-methoxy-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 160624082
N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 147481344
2-methyl-6-(3-methyl-2-oxobutyl)-N-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 147423680
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 158217670

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[2-methyl-6-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxamide?
The IUPAC name of 5-methyl-N-[1-[2-methyl-6-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxamide (CID 146731737) is 5-methyl-N-[1-[2-methyl-6-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-[2-methyl-6-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[1-[2-methyl-6-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxamide is Cc1cc(C(C)NC(=O)c2cc(C)c(OCC(F)(F)C(F)F)nn2)cc(CC(=O)C(C)C)n1.
What is the InChIKey of 5-methyl-N-[1-[2-methyl-6-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxamide?
The InChIKey is RICOUPDBFGFTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F4N4O3/c1-11(2)18(31)9-16-8-15(7-13(4)27-16)14(5)28-19(32)17-6-12(3)20(30-29-17)33-10-22(25,26)21(23)24/h6-8,11,14,21H,9-10H2,1-5H3,(H,28,32).
What are the key properties of 5-methyl-N-[1-[2-methyl-6-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxamide?
5-methyl-N-[1-[2-methyl-6-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxamide has a molecular weight of 470.47 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-[2-methyl-6-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxamide is sourced from PubChem (CID 146731737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).