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N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide

C19H20ClF3N4O3 — CID 153311479

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
SMILESCC(COc1ncc(C(F)(F)F)cc1Cl)NC(=O)c1ccnc(NC(=O)C(C)C)c1
InChIInChI=1S/C19H20ClF3N4O3/c1-10(2)16(28)27-15-6-12(4-5-24-15)17(29)26-11(3)9-30-18-14(20)7-13(8-25-18)19(21,22)23/h4-8,10-11H,9H2,1-3H3,(H,26,29)(H,24,27,28)
InChIKeyPFJRXFOCIHXEGA-UHFFFAOYSA-N
MW444.84 g/mol
LogP3.94
Rot. Bonds7

About N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide

N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide (PubChem CID 153311479) has the molecular formula C19H20ClF3N4O3 and a molecular weight of 444.84 g/mol. Its IUPAC name is N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
PubChem CID153311479
Molecular FormulaC19H20ClF3N4O3
Molecular Weight444.84 g/mol
Exact Mass444.12
IUPAC NameN-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
SMILESCC(COc1ncc(C(F)(F)F)cc1Cl)NC(=O)c1ccnc(NC(=O)C(C)C)c1
InChIInChI=1S/C19H20ClF3N4O3/c1-10(2)16(28)27-15-6-12(4-5-24-15)17(29)26-11(3)9-30-18-14(20)7-13(8-25-18)19(21,22)23/h4-8,10-11H,9H2,1-3H3,(H,26,29)(H,24,27,28)
InChIKeyPFJRXFOCIHXEGA-UHFFFAOYSA-N
XLogP3.94
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.84
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
The IUPAC name of N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide (CID 153311479) is N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide is CC(COc1ncc(C(F)(F)F)cc1Cl)NC(=O)c1ccnc(NC(=O)C(C)C)c1.
What is the InChIKey of N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
The InChIKey is PFJRXFOCIHXEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N4O3/c1-10(2)16(28)27-15-6-12(4-5-24-15)17(29)26-11(3)9-30-18-14(20)7-13(8-25-18)19(21,22)23/h4-8,10-11H,9H2,1-3H3,(H,26,29)(H,24,27,28).
What are the key properties of N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide has a molecular weight of 444.84 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide is sourced from PubChem (CID 153311479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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