N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]-3-phenylpyridine-4-carboxamide

C20H18F2N4O2 — CID 150932359

IUPACN-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]-3-phenylpyridine-4-carboxamide
SMILESN#CC1CCC(F)(F)CN1C(=O)CNC(=O)c1ccncc1-c1ccccc1
InChIInChI=1S/C20H18F2N4O2/c21-20(22)8-6-15(10-23)26(13-20)18(27)12-25-19(28)16-7-9-24-11-17(16)14-4-2-1-3-5-14/h1-5,7,9,11,15H,6,8,12-13H2,(H,25,28)
InChIKeyLGHLAOPGWCZZMK-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.63
Rot. Bonds4

About N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]-3-phenylpyridine-4-carboxamide

N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]-3-phenylpyridine-4-carboxamide (PubChem CID 150932359) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]-3-phenylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]-3-phenylpyridine-4-carboxamide
PubChem CID150932359
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]-3-phenylpyridine-4-carboxamide
SMILESN#CC1CCC(F)(F)CN1C(=O)CNC(=O)c1ccncc1-c1ccccc1
InChIInChI=1S/C20H18F2N4O2/c21-20(22)8-6-15(10-23)26(13-20)18(27)12-25-19(28)16-7-9-24-11-17(16)14-4-2-1-3-5-14/h1-5,7,9,11,15H,6,8,12-13H2,(H,25,28)
InChIKeyLGHLAOPGWCZZMK-UHFFFAOYSA-N
XLogP2.63
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-pyridin-3-ylpyridine-4-carboxamide
CID 138683728
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-ethylphenyl)pyridine-4-carboxamide
CID 138683926
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2,6-difluorophenyl)pyridine-4-carboxamide
CID 138683833
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-3-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 138689971
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(5-fluoronaphthalen-1-yl)pyridine-4-carboxamide
CID 152541938
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 138683771
3-(1,3-benzodioxol-5-yl)-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
CID 138726313
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-phenylsulfanylpyridine-4-carboxamide
CID 138683792
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-3-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 138683610
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylindol-5-yl)pyridine-4-carboxamide
CID 138683920
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-pyridin-3-ylethynyl)pyridine-4-carboxamide
CID 151625483
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-hydroxycyclopropyl)pyridine-4-carboxamide
CID 138683834

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]-3-phenylpyridine-4-carboxamide?
The IUPAC name of N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]-3-phenylpyridine-4-carboxamide (CID 150932359) is N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]-3-phenylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]-3-phenylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]-3-phenylpyridine-4-carboxamide is N#CC1CCC(F)(F)CN1C(=O)CNC(=O)c1ccncc1-c1ccccc1.
What is the InChIKey of N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]-3-phenylpyridine-4-carboxamide?
The InChIKey is LGHLAOPGWCZZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c21-20(22)8-6-15(10-23)26(13-20)18(27)12-25-19(28)16-7-9-24-11-17(16)14-4-2-1-3-5-14/h1-5,7,9,11,15H,6,8,12-13H2,(H,25,28).
What are the key properties of N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]-3-phenylpyridine-4-carboxamide?
N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]-3-phenylpyridine-4-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]-3-phenylpyridine-4-carboxamide is sourced from PubChem (CID 150932359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).