N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine-3-carboxamide

C19H19F5N4O3 — CID 159042117

IUPACN-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine-3-carboxamide
SMILESCC(=O)Cc1cc(C(C)NC(=O)c2ccc(OCC(F)(F)C(F)(F)F)nn2)cc(C)n1
InChIInChI=1S/C19H19F5N4O3/c1-10-6-13(8-14(25-10)7-11(2)29)12(3)26-17(30)15-4-5-16(28-27-15)31-9-18(20,21)19(22,23)24/h4-6,8,12H,7,9H2,1-3H3,(H,26,30)
InChIKeyJWEQHFPDIXPDHN-UHFFFAOYSA-N
MW446.38 g/mol
LogP3.38
Rot. Bonds8

About N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine-3-carboxamide

N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine-3-carboxamide (PubChem CID 159042117) has the molecular formula C19H19F5N4O3 and a molecular weight of 446.38 g/mol. Its IUPAC name is N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine-3-carboxamide
PubChem CID159042117
Molecular FormulaC19H19F5N4O3
Molecular Weight446.38 g/mol
Exact Mass446.14
IUPAC NameN-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine-3-carboxamide
SMILESCC(=O)Cc1cc(C(C)NC(=O)c2ccc(OCC(F)(F)C(F)(F)F)nn2)cc(C)n1
InChIInChI=1S/C19H19F5N4O3/c1-10-6-13(8-14(25-10)7-11(2)29)12(3)26-17(30)15-4-5-16(28-27-15)31-9-18(20,21)19(22,23)24/h4-6,8,12H,7,9H2,1-3H3,(H,26,30)
InChIKeyJWEQHFPDIXPDHN-UHFFFAOYSA-N
XLogP3.38
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.38
LogP ≤ 53.38
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

2-acetamido-6-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 87427220
2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 157284679
3-chloro-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 157398028
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
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
tert-butylazanium;2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 157284678
N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]-2,6-bis(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 160559114
N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 161085351
2-(2-methylpropanoylamino)-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 87427280
N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 158070250
2-acetamido-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67511304

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine-3-carboxamide?
The IUPAC name of N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine-3-carboxamide (CID 159042117) is N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine-3-carboxamide?
The canonical SMILES for N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine-3-carboxamide is CC(=O)Cc1cc(C(C)NC(=O)c2ccc(OCC(F)(F)C(F)(F)F)nn2)cc(C)n1.
What is the InChIKey of N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine-3-carboxamide?
The InChIKey is JWEQHFPDIXPDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F5N4O3/c1-10-6-13(8-14(25-10)7-11(2)29)12(3)26-17(30)15-4-5-16(28-27-15)31-9-18(20,21)19(22,23)24/h4-6,8,12H,7,9H2,1-3H3,(H,26,30).
What are the key properties of N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine-3-carboxamide?
N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine-3-carboxamide has a molecular weight of 446.38 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine-3-carboxamide is sourced from PubChem (CID 159042117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).