6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]pyridine-2-carboxamide

C20H19F5N4O2 — CID 71105663

IUPAC6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]pyridine-2-carboxamide
SMILESO=C(N[C@H](c1cccnc1)C(F)(F)F)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C20H19F5N4O2/c21-19(22)10-29(11-19)15-6-5-14(27-18(15)31-9-12-3-4-12)17(30)28-16(20(23,24)25)13-2-1-7-26-8-13/h1-2,5-8,12,16H,3-4,9-11H2,(H,28,30)/t16-/m1/s1
InChIKeyKEEOXPUMHOLCAE-MRXNPFEDSA-N
MW442.39 g/mol
LogP3.75
Rot. Bonds7

About 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]pyridine-2-carboxamide

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]pyridine-2-carboxamide (PubChem CID 71105663) has the molecular formula C20H19F5N4O2 and a molecular weight of 442.39 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]pyridine-2-carboxamide
PubChem CID71105663
Molecular FormulaC20H19F5N4O2
Molecular Weight442.39 g/mol
Exact Mass442.14
IUPAC Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]pyridine-2-carboxamide
SMILESO=C(N[C@H](c1cccnc1)C(F)(F)F)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C20H19F5N4O2/c21-19(22)10-29(11-19)15-6-5-14(27-18(15)31-9-12-3-4-12)17(30)28-16(20(23,24)25)13-2-1-7-26-8-13/h1-2,5-8,12,16H,3-4,9-11H2,(H,28,30)/t16-/m1/s1
InChIKeyKEEOXPUMHOLCAE-MRXNPFEDSA-N
XLogP3.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyridin-2-yl]-(2,2-dimethyl-pyrrolidin-1-yl)-methanone
CID 76283339
6-(cyclopropylmethoxy)-5-(3-methoxyazetidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
CID 118418663
6-(cyclopropylmethoxy)-N-[3-(3-fluoropropylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
CID 118418707
6-(cyclopropylmethoxy)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
CID 118418720
6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyridine-2-carboxylic acid (1-ethyl-1-methylcarbamoyl-propyl)-amide
CID 71113198
6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105611
N-[1-(2-Amino-2-oxoethyl)cyclobutyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
CID 76287670
6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyridine-2-carboxylic acid tert-butyl-ethyl-amide
CID 90203769
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
CID 122179275
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 122179276
1-[3-[2-[1-(Pyridine-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58548142
Methyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoro-2-oxoazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 71087347

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]pyridine-2-carboxamide (CID 71105663) is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]pyridine-2-carboxamide is O=C(N[C@H](c1cccnc1)C(F)(F)F)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]pyridine-2-carboxamide?
The InChIKey is KEEOXPUMHOLCAE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19F5N4O2/c21-19(22)10-29(11-19)15-6-5-14(27-18(15)31-9-12-3-4-12)17(30)28-16(20(23,24)25)13-2-1-7-26-8-13/h1-2,5-8,12,16H,3-4,9-11H2,(H,28,30)/t16-/m1/s1.
What are the key properties of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]pyridine-2-carboxamide has a molecular weight of 442.39 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 71105663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).