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

C22H26F3N5O3 — CID 67509130

IUPACN-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)NCc2ccc(OCC(F)(F)F)nc2N2CCCCC2)ccn1
InChIInChI=1S/C22H26F3N5O3/c1-2-18(31)28-17-12-15(8-9-26-17)21(32)27-13-16-6-7-19(33-14-22(23,24)25)29-20(16)30-10-4-3-5-11-30/h6-9,12H,2-5,10-11,13-14H2,1H3,(H,27,32)(H,26,28,31)
InChIKeyTWQGNQFVNYGVBZ-UHFFFAOYSA-N
MW465.48 g/mol
LogP3.69
Rot. Bonds8

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

N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide (PubChem CID 67509130) has the molecular formula C22H26F3N5O3 and a molecular weight of 465.48 g/mol. Its IUPAC name is N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide
PubChem CID67509130
Molecular FormulaC22H26F3N5O3
Molecular Weight465.48 g/mol
Exact Mass465.20
IUPAC NameN-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)NCc2ccc(OCC(F)(F)F)nc2N2CCCCC2)ccn1
InChIInChI=1S/C22H26F3N5O3/c1-2-18(31)28-17-12-15(8-9-26-17)21(32)27-13-16-6-7-19(33-14-22(23,24)25)29-20(16)30-10-4-3-5-11-30/h6-9,12H,2-5,10-11,13-14H2,1H3,(H,27,32)(H,26,28,31)
InChIKeyTWQGNQFVNYGVBZ-UHFFFAOYSA-N
XLogP3.69
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-methylpropan-2-amine;N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 171922998
2-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide
CID 175144991
N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide
CID 67511291
2-(2-methylpropanoylamino)-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509985
2-acetamido-N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide
CID 175300278
2-(propanoylamino)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridine-4-carboxamide
CID 56966803
2-acetamido-N-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509106
2-(cyclopropanecarbonylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67511192
2-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 51093842
2-acetamido-6-methyl-N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67511047
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510188
2-acetamido-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509489

Frequently Asked Questions

What is the IUPAC name of N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide?
The IUPAC name of N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide (CID 67509130) is N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide is CCC(=O)Nc1cc(C(=O)NCc2ccc(OCC(F)(F)F)nc2N2CCCCC2)ccn1.
What is the InChIKey of N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide?
The InChIKey is TWQGNQFVNYGVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O3/c1-2-18(31)28-17-12-15(8-9-26-17)21(32)27-13-16-6-7-19(33-14-22(23,24)25)29-20(16)30-10-4-3-5-11-30/h6-9,12H,2-5,10-11,13-14H2,1H3,(H,27,32)(H,26,28,31).
What are the key properties of N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide?
N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide has a molecular weight of 465.48 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide is sourced from PubChem (CID 67509130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).