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

C17H23F2N3O2 — CID 71087628

IUPACN-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C17H23F2N3O2/c1-16(2,3)21-14(23)12-6-7-13(22-9-17(18,19)10-22)15(20-12)24-8-11-4-5-11/h6-7,11H,4-5,8-10H2,1-3H3,(H,21,23)
InChIKeyBRAHLZSLOGOJKV-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.85
Rot. Bonds5

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

N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide (PubChem CID 71087628) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
PubChem CID71087628
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC NameN-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C17H23F2N3O2/c1-16(2,3)21-14(23)12-6-7-13(22-9-17(18,19)10-22)15(20-12)24-8-11-4-5-11/h6-7,11H,4-5,8-10H2,1-3H3,(H,21,23)
InChIKeyBRAHLZSLOGOJKV-UHFFFAOYSA-N
XLogP2.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 118418666
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CID 118418707
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CID 118418720
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CID 71113198
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CID 118418701
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CID 71087415
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CID 71105611
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide (CID 71087628) is N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide is CC(C)(C)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1.
What is the InChIKey of N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide?
The InChIKey is BRAHLZSLOGOJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-16(2,3)21-14(23)12-6-7-13(22-9-17(18,19)10-22)15(20-12)24-8-11-4-5-11/h6-7,11H,4-5,8-10H2,1-3H3,(H,21,23).
What are the key properties of N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide?
N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 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)pyridine-2-carboxamide is sourced from PubChem (CID 71087628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).