N-[2-(2-cyano-4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide

C22H23F2N5O4 — CID 175205667

IUPACN-[2-(2-cyano-4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1.N#CC1CC(F)(F)CCN1C(=O)CNC(=O)c1ccncc1
InChIInChI=1S/C14H14F2N4O2.C8H9NO2/c15-14(16)3-6-20(11(7-14)8-17)12(21)9-19-13(22)10-1-4-18-5-2-10;1-11-7-4-2-6(3-5-7)8(9)10/h1-2,4-5,11H,3,6-7,9H2,(H,19,22);2-5H,1H3,(H2,9,10)
InChIKeyJQEKYPJJLYZZHK-UHFFFAOYSA-N
MW459.45 g/mol
LogP1.76
Rot. Bonds5

About N-[2-(2-cyano-4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide

N-[2-(2-cyano-4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide (PubChem CID 175205667) has the molecular formula C22H23F2N5O4 and a molecular weight of 459.45 g/mol. Its IUPAC name is N-[2-(2-cyano-4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-cyano-4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide
PubChem CID175205667
Molecular FormulaC22H23F2N5O4
Molecular Weight459.45 g/mol
Exact Mass459.17
IUPAC NameN-[2-(2-cyano-4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1.N#CC1CC(F)(F)CCN1C(=O)CNC(=O)c1ccncc1
InChIInChI=1S/C14H14F2N4O2.C8H9NO2/c15-14(16)3-6-20(11(7-14)8-17)12(21)9-19-13(22)10-1-4-18-5-2-10;1-11-7-4-2-6(3-5-7)8(9)10/h1-2,4-5,11H,3,6-7,9H2,(H,19,22);2-5H,1H3,(H2,9,10)
InChIKeyJQEKYPJJLYZZHK-UHFFFAOYSA-N
XLogP1.76
TPSA138.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyano-4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide?
The IUPAC name of N-[2-(2-cyano-4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide (CID 175205667) is N-[2-(2-cyano-4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide.
What is the SMILES notation for N-[2-(2-cyano-4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide?
The canonical SMILES for N-[2-(2-cyano-4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide is COc1ccc(C(N)=O)cc1.N#CC1CC(F)(F)CCN1C(=O)CNC(=O)c1ccncc1.
What is the InChIKey of N-[2-(2-cyano-4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide?
The InChIKey is JQEKYPJJLYZZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O2.C8H9NO2/c15-14(16)3-6-20(11(7-14)8-17)12(21)9-19-13(22)10-1-4-18-5-2-10;1-11-7-4-2-6(3-5-7)8(9)10/h1-2,4-5,11H,3,6-7,9H2,(H,19,22);2-5H,1H3,(H2,9,10).
What are the key properties of N-[2-(2-cyano-4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide?
N-[2-(2-cyano-4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide has a molecular weight of 459.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyano-4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide is sourced from PubChem (CID 175205667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).