N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C13H16F3N3O2 — CID 119428934

IUPACN-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NC1CCCNC1)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)8-21-12-10(4-2-6-18-12)11(20)19-9-3-1-5-17-7-9/h2,4,6,9,17H,1,3,5,7-8H2,(H,19,20)
InChIKeyUHRXNHXESMNGLP-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.50
Rot. Bonds4

About N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 119428934) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID119428934
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC NameN-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NC1CCCNC1)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)8-21-12-10(4-2-6-18-12)11(20)19-9-3-1-5-17-7-9/h2,4,6,9,17H,1,3,5,7-8H2,(H,19,20)
InChIKeyUHRXNHXESMNGLP-UHFFFAOYSA-N
XLogP1.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 47024234
N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride
CID 119514467
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 119847102
N-piperidin-3-yl-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119427810
N-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119394322
1-(3-chloro-2-pyridinyl)-N-piperidin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119426018
N-piperidin-3-yl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119425290
2-piperidin-1-yl-N-piperidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119426882
2,3-dihydroxy-N-piperidin-3-ylbenzamide
CID 114343480
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 42953477
N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
CID 31853242
N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 119450033

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 119428934) is N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NC1CCCNC1)c1cccnc1OCC(F)(F)F.
What is the InChIKey of N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is UHRXNHXESMNGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)8-21-12-10(4-2-6-18-12)11(20)19-9-3-1-5-17-7-9/h2,4,6,9,17H,1,3,5,7-8H2,(H,19,20).
What are the key properties of N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 303.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 119428934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).