N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C26H23F3N4O2 — CID 163255639

IUPACN-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCC#Cc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C26H23F3N4O2/c1-3-4-22-23(33-9-11-35-12-10-33)13-19(16-31-22)21-15-20(6-5-17(21)2)32-25(34)18-7-8-30-24(14-18)26(27,28)29/h5-8,13-16H,9-12H2,1-2H3,(H,32,34)
InChIKeyZNPXFCFYSZAYAR-UHFFFAOYSA-N
MW480.49 g/mol
LogP4.93
Rot. Bonds4

About N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 163255639) has the molecular formula C26H23F3N4O2 and a molecular weight of 480.49 g/mol. Its IUPAC name is N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID163255639
Molecular FormulaC26H23F3N4O2
Molecular Weight480.49 g/mol
Exact Mass480.18
IUPAC NameN-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCC#Cc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C26H23F3N4O2/c1-3-4-22-23(33-9-11-35-12-10-33)13-19(16-31-22)21-15-20(6-5-17(21)2)32-25(34)18-7-8-30-24(14-18)26(27,28)29/h5-8,13-16H,9-12H2,1-2H3,(H,32,34)
InChIKeyZNPXFCFYSZAYAR-UHFFFAOYSA-N
XLogP4.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 163255639) is N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is CC#Cc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.
What is the InChIKey of N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is ZNPXFCFYSZAYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2/c1-3-4-22-23(33-9-11-35-12-10-33)13-19(16-31-22)21-15-20(6-5-17(21)2)32-25(34)18-7-8-30-24(14-18)26(27,28)29/h5-8,13-16H,9-12H2,1-2H3,(H,32,34).
What are the key properties of N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 480.49 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(5-morpholin-4-yl-6-prop-1-ynyl-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 163255639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).