2-(2,2-difluoroethoxy)-N-[1-(2-methyl-4-pyridinyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C18H18F5N3O3 — CID 138673157

IUPAC2-(2,2-difluoroethoxy)-N-[1-(2-methyl-4-pyridinyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ccc(OCC(F)(F)F)nc2OCC(F)F)ccn1
InChIInChI=1S/C18H18F5N3O3/c1-10-7-12(5-6-24-10)11(2)25-16(27)13-3-4-15(29-9-18(21,22)23)26-17(13)28-8-14(19)20/h3-7,11,14H,8-9H2,1-2H3,(H,25,27)
InChIKeyMSKSEKNBOLHRSU-UHFFFAOYSA-N
MW419.35 g/mol
LogP3.86
Rot. Bonds8

About 2-(2,2-difluoroethoxy)-N-[1-(2-methyl-4-pyridinyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

2-(2,2-difluoroethoxy)-N-[1-(2-methyl-4-pyridinyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 138673157) has the molecular formula C18H18F5N3O3 and a molecular weight of 419.35 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[1-(2-methyl-4-pyridinyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[1-(2-methyl-4-pyridinyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID138673157
Molecular FormulaC18H18F5N3O3
Molecular Weight419.35 g/mol
Exact Mass419.13
IUPAC Name2-(2,2-difluoroethoxy)-N-[1-(2-methyl-4-pyridinyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ccc(OCC(F)(F)F)nc2OCC(F)F)ccn1
InChIInChI=1S/C18H18F5N3O3/c1-10-7-12(5-6-24-10)11(2)25-16(27)13-3-4-15(29-9-18(21,22)23)26-17(13)28-8-14(19)20/h3-7,11,14H,8-9H2,1-2H3,(H,25,27)
InChIKeyMSKSEKNBOLHRSU-UHFFFAOYSA-N
XLogP3.86
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,2-difluoroethoxy)-N-[1-(2-methyl-4-pyridinyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide with MolForge

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Related Compounds

N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]-2,6-bis(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 160559114
N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86925855
N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpyridine-4-carboxamide
CID 174687500
N-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 162573502
2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 157284679
3-fluoro-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 174699847
2-bromo-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 87426946
3-amino-6-methyl-2-(2-methylprop-2-enoyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 174687512
N-[1-[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 149459671
2-acetamido-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67511304
2-methyl-6-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67508904
tert-butylazanium;2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 157284678

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[1-(2-methyl-4-pyridinyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[1-(2-methyl-4-pyridinyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 138673157) is 2-(2,2-difluoroethoxy)-N-[1-(2-methyl-4-pyridinyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[1-(2-methyl-4-pyridinyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[1-(2-methyl-4-pyridinyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is Cc1cc(C(C)NC(=O)c2ccc(OCC(F)(F)F)nc2OCC(F)F)ccn1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[1-(2-methyl-4-pyridinyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is MSKSEKNBOLHRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F5N3O3/c1-10-7-12(5-6-24-10)11(2)25-16(27)13-3-4-15(29-9-18(21,22)23)26-17(13)28-8-14(19)20/h3-7,11,14H,8-9H2,1-2H3,(H,25,27).
What are the key properties of 2-(2,2-difluoroethoxy)-N-[1-(2-methyl-4-pyridinyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
2-(2,2-difluoroethoxy)-N-[1-(2-methyl-4-pyridinyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 419.35 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[1-(2-methyl-4-pyridinyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 138673157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).