2-acetamido-N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide

C20H25F3N6O3 — CID 175300278

IUPAC2-acetamido-N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide
SMILESCC(=O)NC1(C(=O)NCc2ccc(OCC(F)(F)F)nc2N2CCCCC2)C=NC=CN1
InChIInChI=1S/C20H25F3N6O3/c1-14(30)28-19(12-24-7-8-26-19)18(31)25-11-15-5-6-16(32-13-20(21,22)23)27-17(15)29-9-3-2-4-10-29/h5-8,12,26H,2-4,9-11,13H2,1H3,(H,25,31)(H,28,30)
InChIKeyITUWIQYWRSTDJR-UHFFFAOYSA-N
MW454.45 g/mol
LogP1.61
Rot. Bonds7

About 2-acetamido-N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide

2-acetamido-N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide (PubChem CID 175300278) has the molecular formula C20H25F3N6O3 and a molecular weight of 454.45 g/mol. Its IUPAC name is 2-acetamido-N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide
PubChem CID175300278
Molecular FormulaC20H25F3N6O3
Molecular Weight454.45 g/mol
Exact Mass454.19
IUPAC Name2-acetamido-N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide
SMILESCC(=O)NC1(C(=O)NCc2ccc(OCC(F)(F)F)nc2N2CCCCC2)C=NC=CN1
InChIInChI=1S/C20H25F3N6O3/c1-14(30)28-19(12-24-7-8-26-19)18(31)25-11-15-5-6-16(32-13-20(21,22)23)27-17(15)29-9-3-2-4-10-29/h5-8,12,26H,2-4,9-11,13H2,1H3,(H,25,31)(H,28,30)
InChIKeyITUWIQYWRSTDJR-UHFFFAOYSA-N
XLogP1.61
TPSA107.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide
CID 67509130
2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide
CID 174836817
2-methylpropan-2-amine;N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 171922998
2-oxo-2-[2-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,3-dihydroisoindol-1-yl]acetaldehyde
CID 174837040
2-[4-(aminomethyl)phenyl]-N-[[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 86679363
2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide
CID 174836824
5-carbamimidoyl-2-methyl-N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 150450021
2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)pyridine
CID 150915079
2-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 110028330
1-[(2R)-2-methoxypropyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 100661667
2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 51093870
1-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122010646

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide?
The IUPAC name of 2-acetamido-N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide (CID 175300278) is 2-acetamido-N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide.
What is the SMILES notation for 2-acetamido-N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide?
The canonical SMILES for 2-acetamido-N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide is CC(=O)NC1(C(=O)NCc2ccc(OCC(F)(F)F)nc2N2CCCCC2)C=NC=CN1.
What is the InChIKey of 2-acetamido-N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide?
The InChIKey is ITUWIQYWRSTDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N6O3/c1-14(30)28-19(12-24-7-8-26-19)18(31)25-11-15-5-6-16(32-13-20(21,22)23)27-17(15)29-9-3-2-4-10-29/h5-8,12,26H,2-4,9-11,13H2,1H3,(H,25,31)(H,28,30).
What are the key properties of 2-acetamido-N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide?
2-acetamido-N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide has a molecular weight of 454.45 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide is sourced from PubChem (CID 175300278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).