N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide

C17H19F2N3O2S — CID 49072120

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCN(CC(F)F)CC1)c1ccc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C17H19F2N3O2S/c18-15(19)10-22-7-5-11(6-8-22)20-16(23)12-3-4-13(21-17(12)24)14-2-1-9-25-14/h1-4,9,11,15H,5-8,10H2,(H,20,23)(H,21,24)
InChIKeyXKGLQFCASPXOPD-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.56
Rot. Bonds5

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide (PubChem CID 49072120) has the molecular formula C17H19F2N3O2S and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide
PubChem CID49072120
Molecular FormulaC17H19F2N3O2S
Molecular Weight367.42 g/mol
Exact Mass367.12
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCN(CC(F)F)CC1)c1ccc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C17H19F2N3O2S/c18-15(19)10-22-7-5-11(6-8-22)20-16(23)12-3-4-13(21-17(12)24)14-2-1-9-25-14/h1-4,9,11,15H,5-8,10H2,(H,20,23)(H,21,24)
InChIKeyXKGLQFCASPXOPD-UHFFFAOYSA-N
XLogP2.56
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide (CID 49072120) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide is O=C(NC1CCN(CC(F)F)CC1)c1ccc(-c2cccs2)[nH]c1=O.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is XKGLQFCASPXOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2S/c18-15(19)10-22-7-5-11(6-8-22)20-16(23)12-3-4-13(21-17(12)24)14-2-1-9-25-14/h1-4,9,11,15H,5-8,10H2,(H,20,23)(H,21,24).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 49072120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).