2-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide

C21H24F3N5O3 — CID 175144991

IUPAC2-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)NC2CCCN(c3cccc(OCC(F)(F)F)n3)C2)ccn1
InChIInChI=1S/C21H24F3N5O3/c1-2-18(30)27-16-11-14(8-9-25-16)20(31)26-15-5-4-10-29(12-15)17-6-3-7-19(28-17)32-13-21(22,23)24/h3,6-9,11,15H,2,4-5,10,12-13H2,1H3,(H,26,31)(H,25,27,30)
InChIKeyQSNOFWLGPRBMLK-UHFFFAOYSA-N
MW451.45 g/mol
LogP3.16
Rot. Bonds7

About 2-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide

2-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide (PubChem CID 175144991) has the molecular formula C21H24F3N5O3 and a molecular weight of 451.45 g/mol. Its IUPAC name is 2-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide
PubChem CID175144991
Molecular FormulaC21H24F3N5O3
Molecular Weight451.45 g/mol
Exact Mass451.18
IUPAC Name2-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)NC2CCCN(c3cccc(OCC(F)(F)F)n3)C2)ccn1
InChIInChI=1S/C21H24F3N5O3/c1-2-18(30)27-16-11-14(8-9-25-16)20(31)26-15-5-4-10-29(12-15)17-6-3-7-19(28-17)32-13-21(22,23)24/h3,6-9,11,15H,2,4-5,10,12-13H2,1H3,(H,26,31)(H,25,27,30)
InChIKeyQSNOFWLGPRBMLK-UHFFFAOYSA-N
XLogP3.16
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide
CID 67509130
[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl] carbamate
CID 175142659
N-[4-[2-[(3S)-1-[3-chloro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]acetyl]-2-pyridinyl]propanamide
CID 163635095
2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)pyridine
CID 150915079
2-(cyclopropanecarbonylamino)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridine-4-carboxamide
CID 138997636
N-(1-ethylpiperidin-3-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62175971
2-(cyclopropanecarbonylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67511192
2-(2-methylpropanoylamino)-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509985
N-cyclopentyl-2-(ethylamino)pyridine-4-carboxamide
CID 62173243
ethyl 4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyrimidine-2-carboxylate
CID 138014234
2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 95735597
N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124519191

Frequently Asked Questions

What is the IUPAC name of 2-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide (CID 175144991) is 2-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide is CCC(=O)Nc1cc(C(=O)NC2CCCN(c3cccc(OCC(F)(F)F)n3)C2)ccn1.
What is the InChIKey of 2-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide?
The InChIKey is QSNOFWLGPRBMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O3/c1-2-18(30)27-16-11-14(8-9-25-16)20(31)26-15-5-4-10-29(12-15)17-6-3-7-19(28-17)32-13-21(22,23)24/h3,6-9,11,15H,2,4-5,10,12-13H2,1H3,(H,26,31)(H,25,27,30).
What are the key properties of 2-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide?
2-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide has a molecular weight of 451.45 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 175144991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).