6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide

C17H23F2N3O3 — CID 71105625

IUPAC6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide
SMILESCC(C)(CO)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C17H23F2N3O3/c1-16(2,10-23)21-14(24)12-5-6-13(22-8-17(18,19)9-22)15(20-12)25-7-11-3-4-11/h5-6,11,23H,3-4,7-10H2,1-2H3,(H,21,24)
InChIKeyJLMSBICRLNNQIJ-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.83
Rot. Bonds7

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

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide (PubChem CID 71105625) has the molecular formula C17H23F2N3O3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide
PubChem CID71105625
Molecular FormulaC17H23F2N3O3
Molecular Weight355.39 g/mol
Exact Mass355.17
IUPAC Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide
SMILESCC(C)(CO)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C17H23F2N3O3/c1-16(2,10-23)21-14(24)12-5-6-13(22-8-17(18,19)9-22)15(20-12)25-7-11-3-4-11/h5-6,11,23H,3-4,7-10H2,1-2H3,(H,21,24)
InChIKeyJLMSBICRLNNQIJ-UHFFFAOYSA-N
XLogP1.83
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide (CID 71105625) is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide is CC(C)(CO)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide?
The InChIKey is JLMSBICRLNNQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O3/c1-16(2,10-23)21-14(24)12-5-6-13(22-8-17(18,19)9-22)15(20-12)25-7-11-3-4-11/h5-6,11,23H,3-4,7-10H2,1-2H3,(H,21,24).
What are the key properties of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 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-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 71105625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).