N-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

C19H17F3N6O2 — CID 165129715

IUPACN-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2cccc(C(=O)Nc3cc(N4CC(O)C4)ncc3C(F)(F)F)n2)cn1
InChIInChI=1S/C19H17F3N6O2/c1-27-8-11(6-24-27)14-3-2-4-15(25-14)18(30)26-16-5-17(28-9-12(29)10-28)23-7-13(16)19(20,21)22/h2-8,12,29H,9-10H2,1H3,(H,23,26,30)
InChIKeyPDQWWZCYXKWWON-UHFFFAOYSA-N
MW418.38 g/mol
LogP2.33
Rot. Bonds4

About N-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

N-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 165129715) has the molecular formula C19H17F3N6O2 and a molecular weight of 418.38 g/mol. Its IUPAC name is N-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID165129715
Molecular FormulaC19H17F3N6O2
Molecular Weight418.38 g/mol
Exact Mass418.14
IUPAC NameN-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2cccc(C(=O)Nc3cc(N4CC(O)C4)ncc3C(F)(F)F)n2)cn1
InChIInChI=1S/C19H17F3N6O2/c1-27-8-11(6-24-27)14-3-2-4-15(25-14)18(30)26-16-5-17(28-9-12(29)10-28)23-7-13(16)19(20,21)22/h2-8,12,29H,9-10H2,1H3,(H,23,26,30)
InChIKeyPDQWWZCYXKWWON-UHFFFAOYSA-N
XLogP2.33
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 165129715) is N-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is Cn1cc(-c2cccc(C(=O)Nc3cc(N4CC(O)C4)ncc3C(F)(F)F)n2)cn1.
What is the InChIKey of N-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is PDQWWZCYXKWWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O2/c1-27-8-11(6-24-27)14-3-2-4-15(25-14)18(30)26-16-5-17(28-9-12(29)10-28)23-7-13(16)19(20,21)22/h2-8,12,29H,9-10H2,1H3,(H,23,26,30).
What are the key properties of N-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
N-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 418.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 165129715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).