6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide

C23H26F2N4O3 — CID 71105675

IUPAC6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide
SMILESCN(C)C(=O)C(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1ccccc1
InChIInChI=1S/C23H26F2N4O3/c1-28(2)22(31)19(16-6-4-3-5-7-16)27-20(30)17-10-11-18(29-13-23(24,25)14-29)21(26-17)32-12-15-8-9-15/h3-7,10-11,15,19H,8-9,12-14H2,1-2H3,(H,27,30)
InChIKeySXQSOCKOBROCQQ-UHFFFAOYSA-N
MW444.48 g/mol
LogP2.88
Rot. Bonds8

About 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide (PubChem CID 71105675) has the molecular formula C23H26F2N4O3 and a molecular weight of 444.48 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide
PubChem CID71105675
Molecular FormulaC23H26F2N4O3
Molecular Weight444.48 g/mol
Exact Mass444.20
IUPAC Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide
SMILESCN(C)C(=O)C(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1ccccc1
InChIInChI=1S/C23H26F2N4O3/c1-28(2)22(31)19(16-6-4-3-5-7-16)27-20(30)17-10-11-18(29-13-23(24,25)14-29)21(26-17)32-12-15-8-9-15/h3-7,10-11,15,19H,8-9,12-14H2,1-2H3,(H,27,30)
InChIKeySXQSOCKOBROCQQ-UHFFFAOYSA-N
XLogP2.88
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide (CID 71105675) is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide is CN(C)C(=O)C(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1ccccc1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide?
The InChIKey is SXQSOCKOBROCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O3/c1-28(2)22(31)19(16-6-4-3-5-7-16)27-20(30)17-10-11-18(29-13-23(24,25)14-29)21(26-17)32-12-15-8-9-15/h3-7,10-11,15,19H,8-9,12-14H2,1-2H3,(H,27,30).
What are the key properties of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide has a molecular weight of 444.48 g/mol, XLogP of 2.88, 8 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-[2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 71105675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).