6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyl-1-pyridin-3-ylbutyl)pyridine-2-carboxamide

C23H28F2N4O2 — CID 71105706

IUPAC6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyl-1-pyridin-3-ylbutyl)pyridine-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1cccnc1
InChIInChI=1S/C23H28F2N4O2/c1-15(2)10-19(17-4-3-9-26-11-17)27-21(30)18-7-8-20(29-13-23(24,25)14-29)22(28-18)31-12-16-5-6-16/h3-4,7-9,11,15-16,19H,5-6,10,12-14H2,1-2H3,(H,27,30)
InChIKeyXARTZWCZXFNEGB-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.24
Rot. Bonds9

About 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyl-1-pyridin-3-ylbutyl)pyridine-2-carboxamide

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyl-1-pyridin-3-ylbutyl)pyridine-2-carboxamide (PubChem CID 71105706) has the molecular formula C23H28F2N4O2 and a molecular weight of 430.50 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyl-1-pyridin-3-ylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyl-1-pyridin-3-ylbutyl)pyridine-2-carboxamide
PubChem CID71105706
Molecular FormulaC23H28F2N4O2
Molecular Weight430.50 g/mol
Exact Mass430.22
IUPAC Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyl-1-pyridin-3-ylbutyl)pyridine-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1cccnc1
InChIInChI=1S/C23H28F2N4O2/c1-15(2)10-19(17-4-3-9-26-11-17)27-21(30)18-7-8-20(29-13-23(24,25)14-29)22(28-18)31-12-16-5-6-16/h3-4,7-9,11,15-16,19H,5-6,10,12-14H2,1-2H3,(H,27,30)
InChIKeyXARTZWCZXFNEGB-UHFFFAOYSA-N
XLogP4.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
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-(3-methyl-1-pyridin-3-ylbutyl)pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyl-1-pyridin-3-ylbutyl)pyridine-2-carboxamide (CID 71105706) is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyl-1-pyridin-3-ylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyl-1-pyridin-3-ylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyl-1-pyridin-3-ylbutyl)pyridine-2-carboxamide is CC(C)CC(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1cccnc1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyl-1-pyridin-3-ylbutyl)pyridine-2-carboxamide?
The InChIKey is XARTZWCZXFNEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N4O2/c1-15(2)10-19(17-4-3-9-26-11-17)27-21(30)18-7-8-20(29-13-23(24,25)14-29)22(28-18)31-12-16-5-6-16/h3-4,7-9,11,15-16,19H,5-6,10,12-14H2,1-2H3,(H,27,30).
What are the key properties of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyl-1-pyridin-3-ylbutyl)pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyl-1-pyridin-3-ylbutyl)pyridine-2-carboxamide has a molecular weight of 430.50 g/mol, XLogP of 4.24, 9 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-(3-methyl-1-pyridin-3-ylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 71105706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).