N-(3-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide

C24H22F3N5O2 — CID 24963361

IUPACN-(3-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1nccnc1NC(=O)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
InChIInChI=1S/C24H22F3N5O2/c1-16-22(29-10-9-28-16)31-23(33)32-11-7-17(8-12-32)13-18-3-2-4-20(14-18)34-21-6-5-19(15-30-21)24(25,26)27/h2-6,9-10,13-15H,7-8,11-12H2,1H3,(H,29,31,33)
InChIKeyRQFILJGEGMTVCJ-UHFFFAOYSA-N
MW469.47 g/mol
LogP5.70
Rot. Bonds4

About N-(3-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide

N-(3-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 24963361) has the molecular formula C24H22F3N5O2 and a molecular weight of 469.47 g/mol. Its IUPAC name is N-(3-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
PubChem CID24963361
Molecular FormulaC24H22F3N5O2
Molecular Weight469.47 g/mol
Exact Mass469.17
IUPAC NameN-(3-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1nccnc1NC(=O)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
InChIInChI=1S/C24H22F3N5O2/c1-16-22(29-10-9-28-16)31-23(33)32-11-7-17(8-12-32)13-18-3-2-4-20(14-18)34-21-6-5-19(15-30-21)24(25,26)27/h2-6,9-10,13-15H,7-8,11-12H2,1H3,(H,29,31,33)
InChIKeyRQFILJGEGMTVCJ-UHFFFAOYSA-N
XLogP5.70
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.47
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of N-(3-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (CID 24963361) is N-(3-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for N-(3-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is Cc1nccnc1NC(=O)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.
What is the InChIKey of N-(3-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is RQFILJGEGMTVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O2/c1-16-22(29-10-9-28-16)31-23(33)32-11-7-17(8-12-32)13-18-3-2-4-20(14-18)34-21-6-5-19(15-30-21)24(25,26)27/h2-6,9-10,13-15H,7-8,11-12H2,1H3,(H,29,31,33).
What are the key properties of N-(3-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
N-(3-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 469.47 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 24963361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).