N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide

C29H32F3N5O2 — CID 42629215

IUPACN-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccncc2)CC1)c1cccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C29H32F3N5O2/c30-29(31,32)22-4-6-24(7-5-22)37-18-12-25(13-19-37)39-27-3-1-2-26(35-27)28(38)34-23-10-16-36(17-11-23)20-21-8-14-33-15-9-21/h1-9,14-15,23,25H,10-13,16-20H2,(H,34,38)
InChIKeyZTFZEMAQQLKFEQ-UHFFFAOYSA-N
MW539.60 g/mol
LogP4.94
Rot. Bonds7

About N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide

N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide (PubChem CID 42629215) 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]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
PubChem CID42629215
Molecular FormulaC29H32F3N5O2
Molecular Weight539.60 g/mol
Exact Mass539.25
IUPAC NameN-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccncc2)CC1)c1cccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C29H32F3N5O2/c30-29(31,32)22-4-6-24(7-5-22)37-18-12-25(13-19-37)39-27-3-1-2-26(35-27)28(38)34-23-10-16-36(17-11-23)20-21-8-14-33-15-9-21/h1-9,14-15,23,25H,10-13,16-20H2,(H,34,38)
InChIKeyZTFZEMAQQLKFEQ-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]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide (CID 42629215) is N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide is O=C(NC1CCN(Cc2ccncc2)CC1)c1cccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1.
What is the InChIKey of N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide?
The InChIKey is ZTFZEMAQQLKFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N5O2/c30-29(31,32)22-4-6-24(7-5-22)37-18-12-25(13-19-37)39-27-3-1-2-26(35-27)28(38)34-23-10-16-36(17-11-23)20-21-8-14-33-15-9-21/h1-9,14-15,23,25H,10-13,16-20H2,(H,34,38).
What are the key properties of N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide?
N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[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]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 42629215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).