N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide

C19H27F2N3O2 — CID 90203769

IUPACN-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C
InChIInChI=1S/C19H27F2N3O2/c1-5-24(18(2,3)4)17(25)14-8-9-15(23-11-19(20,21)12-23)16(22-14)26-10-13-6-7-13/h8-9,13H,5-7,10-12H2,1-4H3
InChIKeyBQXSMWZQXTYYNY-UHFFFAOYSA-N
MW367.44 g/mol
LogP3.59
Rot. Bonds6

About N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide

N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide (PubChem CID 90203769) has the molecular formula C19H27F2N3O2 and a molecular weight of 367.44 g/mol. Its IUPAC name is N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide
PubChem CID90203769
Molecular FormulaC19H27F2N3O2
Molecular Weight367.44 g/mol
Exact Mass367.21
IUPAC NameN-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C
InChIInChI=1S/C19H27F2N3O2/c1-5-24(18(2,3)4)17(25)14-8-9-15(23-11-19(20,21)12-23)16(22-14)26-10-13-6-7-13/h8-9,13H,5-7,10-12H2,1-4H3
InChIKeyBQXSMWZQXTYYNY-UHFFFAOYSA-N
XLogP3.59
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
(1,1,2,2,3,3-hexadeuterio-3-(18F)fluoropropyl) 2-ethyl-2-[[6-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoate
CID 156273653
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-methoxyazetidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
CID 118418663
N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-6-(cyclopropylmethoxy)-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
CID 118418664
6-(cyclopropylmethoxy)-N-[3-(3-fluoroazetidine-1-carbonyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
CID 118418666
Ethyl 2-(6-(Cyclopropylmethoxy)-5-(3-methoxyazetidin-1-yl)picolinamido)-2-ethylbutanoate
CID 118418701
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 ((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 (3-carbamoylmethyl-1,1-dioxo-1lambda6-thietan-3-yl)-amide
CID 90213828

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide (CID 90203769) is N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide is CCN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide?
The InChIKey is BQXSMWZQXTYYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O2/c1-5-24(18(2,3)4)17(25)14-8-9-15(23-11-19(20,21)12-23)16(22-14)26-10-13-6-7-13/h8-9,13H,5-7,10-12H2,1-4H3.
What are the key properties of N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide?
N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide has a molecular weight of 367.44 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 90203769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).