N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

C22H23F3N6O2 — CID 165129756

IUPACN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESC[C@@H]1CN(c2cc(NC(=O)c3cccc(-c4cnn(C)c4)n3)c(C(F)(F)F)cn2)C[C@H](C)O1
InChIInChI=1S/C22H23F3N6O2/c1-13-10-31(11-14(2)33-13)20-7-19(16(9-26-20)22(23,24)25)29-21(32)18-6-4-5-17(28-18)15-8-27-30(3)12-15/h4-9,12-14H,10-11H2,1-3H3,(H,26,29,32)/t13-,14+
InChIKeyACPZEELFGRNYMY-OKILXGFUSA-N
MW460.46 g/mol
LogP3.76
Rot. Bonds4

About N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 165129756) has the molecular formula C22H23F3N6O2 and a molecular weight of 460.46 g/mol. Its IUPAC name is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID165129756
Molecular FormulaC22H23F3N6O2
Molecular Weight460.46 g/mol
Exact Mass460.18
IUPAC NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESC[C@@H]1CN(c2cc(NC(=O)c3cccc(-c4cnn(C)c4)n3)c(C(F)(F)F)cn2)C[C@H](C)O1
InChIInChI=1S/C22H23F3N6O2/c1-13-10-31(11-14(2)33-13)20-7-19(16(9-26-20)22(23,24)25)29-21(32)18-6-4-5-17(28-18)15-8-27-30(3)12-15/h4-9,12-14H,10-11H2,1-3H3,(H,26,29,32)/t13-,14+
InChIKeyACPZEELFGRNYMY-OKILXGFUSA-N
XLogP3.76
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 165129756) is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is C[C@@H]1CN(c2cc(NC(=O)c3cccc(-c4cnn(C)c4)n3)c(C(F)(F)F)cn2)C[C@H](C)O1.
What is the InChIKey of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is ACPZEELFGRNYMY-OKILXGFUSA-N. The full InChI is InChI=1S/C22H23F3N6O2/c1-13-10-31(11-14(2)33-13)20-7-19(16(9-26-20)22(23,24)25)29-21(32)18-6-4-5-17(28-18)15-8-27-30(3)12-15/h4-9,12-14H,10-11H2,1-3H3,(H,26,29,32)/t13-,14+.
What are the key properties of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 460.46 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 165129756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).