N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

C22H27F3N6O2 — CID 77407634

IUPACN-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cncc(NCC3CCOCC3)n2)c(C(F)(F)F)cn1)C1CCCNC1
InChIInChI=1S/C22H27F3N6O2/c23-22(24,25)17-11-29-19(31-21(32)15-2-1-5-26-10-15)8-16(17)18-12-27-13-20(30-18)28-9-14-3-6-33-7-4-14/h8,11-15,26H,1-7,9-10H2,(H,28,30)(H,29,31,32)
InChIKeyDYCVOLBFSGUOFT-UHFFFAOYSA-N
MW464.49 g/mol
LogP3.33
Rot. Bonds6

About N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 77407634) has the molecular formula C22H27F3N6O2 and a molecular weight of 464.49 g/mol. Its IUPAC name is N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID77407634
Molecular FormulaC22H27F3N6O2
Molecular Weight464.49 g/mol
Exact Mass464.21
IUPAC NameN-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cncc(NCC3CCOCC3)n2)c(C(F)(F)F)cn1)C1CCCNC1
InChIInChI=1S/C22H27F3N6O2/c23-22(24,25)17-11-29-19(31-21(32)15-2-1-5-26-10-15)8-16(17)18-12-27-13-20(30-18)28-9-14-3-6-33-7-4-14/h8,11-15,26H,1-7,9-10H2,(H,28,30)(H,29,31,32)
InChIKeyDYCVOLBFSGUOFT-UHFFFAOYSA-N
XLogP3.33
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (CID 77407634) is N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is O=C(Nc1cc(-c2cncc(NCC3CCOCC3)n2)c(C(F)(F)F)cn1)C1CCCNC1.
What is the InChIKey of N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is DYCVOLBFSGUOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N6O2/c23-22(24,25)17-11-29-19(31-21(32)15-2-1-5-26-10-15)8-16(17)18-12-27-13-20(30-18)28-9-14-3-6-33-7-4-14/h8,11-15,26H,1-7,9-10H2,(H,28,30)(H,29,31,32).
What are the key properties of N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 464.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 77407634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).