N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide

C30H32F4N4O2 — CID 42630786

IUPACN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccn1
InChIInChI=1S/C30H32F4N4O2/c31-23-5-1-21(2-6-23)20-37-15-10-24(11-16-37)36-29(39)28-19-27(9-14-35-28)40-26-12-17-38(18-13-26)25-7-3-22(4-8-25)30(32,33)34/h1-9,14,19,24,26H,10-13,15-18,20H2,(H,36,39)
InChIKeyQBLAFWRADPPWIC-UHFFFAOYSA-N
MW556.60 g/mol
LogP5.68
Rot. Bonds7

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

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide (PubChem CID 42630786) has the molecular formula C30H32F4N4O2 and a molecular weight of 556.60 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
PubChem CID42630786
Molecular FormulaC30H32F4N4O2
Molecular Weight556.60 g/mol
Exact Mass556.25
IUPAC NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccn1
InChIInChI=1S/C30H32F4N4O2/c31-23-5-1-21(2-6-23)20-37-15-10-24(11-16-37)36-29(39)28-19-27(9-14-35-28)40-26-12-17-38(18-13-26)25-7-3-22(4-8-25)30(32,33)34/h1-9,14,19,24,26H,10-13,15-18,20H2,(H,36,39)
InChIKeyQBLAFWRADPPWIC-UHFFFAOYSA-N
XLogP5.68
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.60
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide (CID 42630786) is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide is O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccn1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide?
The InChIKey is QBLAFWRADPPWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F4N4O2/c31-23-5-1-21(2-6-23)20-37-15-10-24(11-16-37)36-29(39)28-19-27(9-14-35-28)40-26-12-17-38(18-13-26)25-7-3-22(4-8-25)30(32,33)34/h1-9,14,19,24,26H,10-13,15-18,20H2,(H,36,39).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide?
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide has a molecular weight of 556.60 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 42630786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).