N-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide

C22H27F3N6O2 — CID 169148771

IUPACN-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCCC(c4ncc(C(F)(F)F)c(=O)[nH]4)C3)CC2)cn1
InChIInChI=1S/C22H27F3N6O2/c1-26-21(33)18-5-4-16(11-27-18)30-9-6-15(7-10-30)31-8-2-3-14(13-31)19-28-12-17(20(32)29-19)22(23,24)25/h4-5,11-12,14-15H,2-3,6-10,13H2,1H3,(H,26,33)(H,28,29,32)
InChIKeyUQVDGHOWEIYWIH-UHFFFAOYSA-N
MW464.49 g/mol
LogP2.39
Rot. Bonds4

About N-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide

N-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 169148771) has the molecular formula C22H27F3N6O2 and a molecular weight of 464.49 g/mol. Its IUPAC name is N-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
PubChem CID169148771
Molecular FormulaC22H27F3N6O2
Molecular Weight464.49 g/mol
Exact Mass464.21
IUPAC NameN-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCCC(c4ncc(C(F)(F)F)c(=O)[nH]4)C3)CC2)cn1
InChIInChI=1S/C22H27F3N6O2/c1-26-21(33)18-5-4-16(11-27-18)30-9-6-15(7-10-30)31-8-2-3-14(13-31)19-28-12-17(20(32)29-19)22(23,24)25/h4-5,11-12,14-15H,2-3,6-10,13H2,1H3,(H,26,33)(H,28,29,32)
InChIKeyUQVDGHOWEIYWIH-UHFFFAOYSA-N
XLogP2.39
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide (CID 169148771) is N-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCC(N3CCCC(c4ncc(C(F)(F)F)c(=O)[nH]4)C3)CC2)cn1.
What is the InChIKey of N-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is UQVDGHOWEIYWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N6O2/c1-26-21(33)18-5-4-16(11-27-18)30-9-6-15(7-10-30)31-8-2-3-14(13-31)19-28-12-17(20(32)29-19)22(23,24)25/h4-5,11-12,14-15H,2-3,6-10,13H2,1H3,(H,26,33)(H,28,29,32).
What are the key properties of N-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?
N-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 464.49 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 169148771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).