4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide

C17H17F3N4O — CID 136536230

IUPAC4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)15-2-1-14(11-22-15)23-16(25)24-9-5-13(6-10-24)12-3-7-21-8-4-12/h1-4,7-8,11,13H,5-6,9-10H2,(H,23,25)
InChIKeyUFDZHGWVORQNFZ-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.91
Rot. Bonds2

About 4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide

4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide (PubChem CID 136536230) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is 4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide
PubChem CID136536230
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC Name4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)15-2-1-14(11-22-15)23-16(25)24-9-5-13(6-10-24)12-3-7-21-8-4-12/h1-4,7-8,11,13H,5-6,9-10H2,(H,23,25)
InChIKeyUFDZHGWVORQNFZ-UHFFFAOYSA-N
XLogP3.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide
CID 115778116
4-(pyridin-4-ylmethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxamide
CID 126774966
N-(4-cyclopropylphenyl)-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxamide
CID 155701537
N-[6-(trifluoromethyl)-3-pyridinyl]cyclopropanecarboxamide
CID 82707218
N-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 171683402
N-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 129488366
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4183406
3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51104059
1-[4-[2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]piperidin-1-yl]prop-2-en-1-one
CID 172634956
ethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate
CID 135126252

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide?
The IUPAC name of 4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide (CID 136536230) is 4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide?
The canonical SMILES for 4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)nc1)N1CCC(c2ccncc2)CC1.
What is the InChIKey of 4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide?
The InChIKey is UFDZHGWVORQNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c18-17(19,20)15-2-1-14(11-22-15)23-16(25)24-9-5-13(6-10-24)12-3-7-21-8-4-12/h1-4,7-8,11,13H,5-6,9-10H2,(H,23,25).
What are the key properties of 4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide?
4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide is sourced from PubChem (CID 136536230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).