N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carboxamide

C29H32F3N5O2 — CID 42630422

IUPACN-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccncc2)CC1)c1cncc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C29H32F3N5O2/c30-29(31,32)23-1-3-25(4-2-23)37-15-9-26(10-16-37)39-27-17-22(18-34-19-27)28(38)35-24-7-13-36(14-8-24)20-21-5-11-33-12-6-21/h1-6,11-12,17-19,24,26H,7-10,13-16,20H2,(H,35,38)
InChIKeyKAOROHWLCQUPFC-UHFFFAOYSA-N
MW539.60 g/mol
LogP4.94
Rot. Bonds7

About N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carboxamide

N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carboxamide (PubChem CID 42630422) 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]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carboxamide
PubChem CID42630422
Molecular FormulaC29H32F3N5O2
Molecular Weight539.60 g/mol
Exact Mass539.25
IUPAC NameN-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccncc2)CC1)c1cncc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C29H32F3N5O2/c30-29(31,32)23-1-3-25(4-2-23)37-15-9-26(10-16-37)39-27-17-22(18-34-19-27)28(38)35-24-7-13-36(14-8-24)20-21-5-11-33-12-6-21/h1-6,11-12,17-19,24,26H,7-10,13-16,20H2,(H,35,38)
InChIKeyKAOROHWLCQUPFC-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]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carboxamide?
The IUPAC name of N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carboxamide (CID 42630422) is N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carboxamide is O=C(NC1CCN(Cc2ccncc2)CC1)c1cncc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1.
What is the InChIKey of N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carboxamide?
The InChIKey is KAOROHWLCQUPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N5O2/c30-29(31,32)23-1-3-25(4-2-23)37-15-9-26(10-16-37)39-27-17-22(18-34-19-27)28(38)35-24-7-13-36(14-8-24)20-21-5-11-33-12-6-21/h1-6,11-12,17-19,24,26H,7-10,13-16,20H2,(H,35,38).
What are the key properties of N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carboxamide?
N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-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]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 42630422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).