2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride

C17H17ClF3N3O2 — CID 2842959

IUPAC2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1N1CCOCC1
InChIInChI=1S/C17H16F3N3O2.ClH/c18-17(19,20)12-3-1-4-13(11-12)22-16(24)14-5-2-6-21-15(14)23-7-9-25-10-8-23;/h1-6,11H,7-10H2,(H,22,24);1H
InChIKeyRMWLERUQJIPKQD-UHFFFAOYSA-N
MW387.79 g/mol
LogP3.61
Rot. Bonds3

About 2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride

2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 2842959) has the molecular formula C17H17ClF3N3O2 and a molecular weight of 387.79 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride
PubChem CID2842959
Molecular FormulaC17H17ClF3N3O2
Molecular Weight387.79 g/mol
Exact Mass387.10
IUPAC Name2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1N1CCOCC1
InChIInChI=1S/C17H16F3N3O2.ClH/c18-17(19,20)12-3-1-4-13(11-12)22-16(24)14-5-2-6-21-15(14)23-7-9-25-10-8-23;/h1-6,11H,7-10H2,(H,22,24);1H
InChIKeyRMWLERUQJIPKQD-UHFFFAOYSA-N
XLogP3.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride (CID 2842959) is 2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is RMWLERUQJIPKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2.ClH/c18-17(19,20)12-3-1-4-13(11-12)22-16(24)14-5-2-6-21-15(14)23-7-9-25-10-8-23;/h1-6,11H,7-10H2,(H,22,24);1H.
What are the key properties of 2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride?
2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 387.79 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 2842959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).