N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide

C22H23F2N5O4 — CID 175204181

IUPACN-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1.N#CC1CCC(F)(F)CN1C(=O)CNC(=O)c1ccncc1
InChIInChI=1S/C14H14F2N4O2.C8H9NO2/c15-14(16)4-1-11(7-17)20(9-14)12(21)8-19-13(22)10-2-5-18-6-3-10;1-11-7-4-2-6(3-5-7)8(9)10/h2-3,5-6,11H,1,4,8-9H2,(H,19,22);2-5H,1H3,(H2,9,10)
InChIKeyAGKUJSFANUGXHY-UHFFFAOYSA-N
MW459.45 g/mol
LogP1.76
Rot. Bonds5

About N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide

N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide (PubChem CID 175204181) has the molecular formula C22H23F2N5O4 and a molecular weight of 459.45 g/mol. Its IUPAC name is N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide
PubChem CID175204181
Molecular FormulaC22H23F2N5O4
Molecular Weight459.45 g/mol
Exact Mass459.17
IUPAC NameN-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1.N#CC1CCC(F)(F)CN1C(=O)CNC(=O)c1ccncc1
InChIInChI=1S/C14H14F2N4O2.C8H9NO2/c15-14(16)4-1-11(7-17)20(9-14)12(21)8-19-13(22)10-2-5-18-6-3-10;1-11-7-4-2-6(3-5-7)8(9)10/h2-3,5-6,11H,1,4,8-9H2,(H,19,22);2-5H,1H3,(H2,9,10)
InChIKeyAGKUJSFANUGXHY-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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Launch Full Analysis

Related Compounds

N-[2-(2-cyano-4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide
CID 175205667
4-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]benzene-1,4-dicarboxamide
CID 138683758
N-[2-[(2S)-2-cyano-5,5-difluoropiperidin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)quinoline-4-carboxamide
CID 154966246
N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]-3-phenylpyridine-4-carboxamide
CID 150932359
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-3-[2-(4-methoxyphenyl)propyl]pyridine-4-carboxamide
CID 154979539
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridine-4-carboxamide
CID 154976157
(2S)-5,5-difluoro-1-[4-[6-(4-methoxyphenyl)quinolin-4-yl]-4-oxobutanoyl]piperidine-2-carbonitrile
CID 159973748
[1-[4-[[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]carbamoyl]-3-pyridinyl]piperidin-4-yl] carbamate
CID 175080688
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]prop-1-enyl]pyridine-4-carboxamide
CID 154976259
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(diethylamino)pyridine-4-carboxamide
CID 138683753
N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-oxoethyl]-4-methoxybenzamide
CID 22243702
4-methoxy-N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]benzamide
CID 4628077

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide?
The IUPAC name of N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide (CID 175204181) is N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide.
What is the SMILES notation for N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide?
The canonical SMILES for N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide is COc1ccc(C(N)=O)cc1.N#CC1CCC(F)(F)CN1C(=O)CNC(=O)c1ccncc1.
What is the InChIKey of N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide?
The InChIKey is AGKUJSFANUGXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O2.C8H9NO2/c15-14(16)4-1-11(7-17)20(9-14)12(21)8-19-13(22)10-2-5-18-6-3-10;1-11-7-4-2-6(3-5-7)8(9)10/h2-3,5-6,11H,1,4,8-9H2,(H,19,22);2-5H,1H3,(H2,9,10).
What are the key properties of N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide?
N-[2-(2-cyano-5,5-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-5,5-difluoropiperidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;4-methoxybenzamide is sourced from PubChem (CID 175204181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).