N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide

C29H32F3N5O2 — CID 42630421

IUPACN-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccncc2)CC1)c1cc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccn1
InChIInChI=1S/C29H32F3N5O2/c30-29(31,32)22-1-3-24(4-2-22)37-17-10-25(11-18-37)39-26-7-14-34-27(19-26)28(38)35-23-8-15-36(16-9-23)20-21-5-12-33-13-6-21/h1-7,12-14,19,23,25H,8-11,15-18,20H2,(H,35,38)
InChIKeyDETOWLCCGILUHX-UHFFFAOYSA-N
MW539.60 g/mol
LogP4.94
Rot. Bonds7

About N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide

N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide (PubChem CID 42630421) has the molecular formula C29H32F3N5O2 and a molecular weight of 539.60 g/mol. Its IUPAC name is N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
PubChem CID42630421
Molecular FormulaC29H32F3N5O2
Molecular Weight539.60 g/mol
Exact Mass539.25
IUPAC NameN-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccncc2)CC1)c1cc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccn1
InChIInChI=1S/C29H32F3N5O2/c30-29(31,32)22-1-3-24(4-2-22)37-17-10-25(11-18-37)39-26-7-14-34-27(19-26)28(38)35-23-8-15-36(16-9-23)20-21-5-12-33-13-6-21/h1-7,12-14,19,23,25H,8-11,15-18,20H2,(H,35,38)
InChIKeyDETOWLCCGILUHX-UHFFFAOYSA-N
XLogP4.94
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.60
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide (CID 42630421) is N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide is O=C(NC1CCN(Cc2ccncc2)CC1)c1cc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccn1.
What is the InChIKey of N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide?
The InChIKey is DETOWLCCGILUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N5O2/c30-29(31,32)22-1-3-24(4-2-22)37-17-10-25(11-18-37)39-26-7-14-34-27(19-26)28(38)35-23-8-15-36(16-9-23)20-21-5-12-33-13-6-21/h1-7,12-14,19,23,25H,8-11,15-18,20H2,(H,35,38).
What are the key properties of N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide?
N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide has a molecular weight of 539.60 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 42630421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).