N-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C16H22F3N3O2 — CID 47024234

IUPACN-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cccnc2OCC(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O2/c1-11(2)22-8-5-12(6-9-22)21-14(23)13-4-3-7-20-15(13)24-10-16(17,18)19/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,21,23)
InChIKeyCHZPYWLGJMSDOX-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.63
Rot. Bonds5

About N-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 47024234) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID47024234
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC NameN-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cccnc2OCC(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O2/c1-11(2)22-8-5-12(6-9-22)21-14(23)13-4-3-7-20-15(13)24-10-16(17,18)19/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,21,23)
InChIKeyCHZPYWLGJMSDOX-UHFFFAOYSA-N
XLogP2.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119428934
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 49072325
N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86925855
N-(3-propan-2-yloxypropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86926030
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride
CID 119625204
[3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride
CID 119493478
tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47072487
2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 105380732
N-(1-propan-2-ylpiperidin-4-yl)-1-(2,2,2-trifluoroethoxy)benzimidazole-2-carboxamide
CID 142966374
N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 111447628
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methylpropoxy)pyridine-3-carboxamide
CID 138996085

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 47024234) is N-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CC(C)N1CCC(NC(=O)c2cccnc2OCC(F)(F)F)CC1.
What is the InChIKey of N-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is CHZPYWLGJMSDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-11(2)22-8-5-12(6-9-22)21-14(23)13-4-3-7-20-15(13)24-10-16(17,18)19/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,21,23).
What are the key properties of N-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 47024234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).