N-[2-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

C20H19F3N6O2 — CID 165129700

IUPACN-[2-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESC[C@@H]1[C@@H](O)CN1c1cc(NC(=O)c2cccc(-c3cnn(C)c3)n2)c(C(F)(F)F)cn1
InChIInChI=1S/C20H19F3N6O2/c1-11-17(30)10-29(11)18-6-16(13(8-24-18)20(21,22)23)27-19(31)15-5-3-4-14(26-15)12-7-25-28(2)9-12/h3-9,11,17,30H,10H2,1-2H3,(H,24,27,31)/t11-,17+/m1/s1
InChIKeyYUKWHAZRUFATPE-DIFFPNOSSA-N
MW432.41 g/mol
LogP2.72
Rot. Bonds4

About N-[2-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

N-[2-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 165129700) has the molecular formula C20H19F3N6O2 and a molecular weight of 432.41 g/mol. Its IUPAC name is N-[2-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID165129700
Molecular FormulaC20H19F3N6O2
Molecular Weight432.41 g/mol
Exact Mass432.15
IUPAC NameN-[2-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESC[C@@H]1[C@@H](O)CN1c1cc(NC(=O)c2cccc(-c3cnn(C)c3)n2)c(C(F)(F)F)cn1
InChIInChI=1S/C20H19F3N6O2/c1-11-17(30)10-29(11)18-6-16(13(8-24-18)20(21,22)23)27-19(31)15-5-3-4-14(26-15)12-7-25-28(2)9-12/h3-9,11,17,30H,10H2,1-2H3,(H,24,27,31)/t11-,17+/m1/s1
InChIKeyYUKWHAZRUFATPE-DIFFPNOSSA-N
XLogP2.72
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 165129700) is N-[2-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is C[C@@H]1[C@@H](O)CN1c1cc(NC(=O)c2cccc(-c3cnn(C)c3)n2)c(C(F)(F)F)cn1.
What is the InChIKey of N-[2-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is YUKWHAZRUFATPE-DIFFPNOSSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c1-11-17(30)10-29(11)18-6-16(13(8-24-18)20(21,22)23)27-19(31)15-5-3-4-14(26-15)12-7-25-28(2)9-12/h3-9,11,17,30H,10H2,1-2H3,(H,24,27,31)/t11-,17+/m1/s1.
What are the key properties of N-[2-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
N-[2-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 432.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 165129700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).