N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride

C18H19ClF3N3O3 — CID 66705787

IUPACN-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C18H18F3N3O3.ClH/c19-18(20,21)11-27-16-6-3-13(9-23-16)17(25)24-14-4-1-12(2-5-14)15-10-22-7-8-26-15;/h1-6,9,15,22H,7-8,10-11H2,(H,24,25);1H/t15-;/m1./s1
InChIKeyPUJJCMDBMNVHGM-XFULWGLBSA-N
MW417.82 g/mol
LogP3.36
Rot. Bonds5

About N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride

N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride (PubChem CID 66705787) has the molecular formula C18H19ClF3N3O3 and a molecular weight of 417.82 g/mol. Its IUPAC name is N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
PubChem CID66705787
Molecular FormulaC18H19ClF3N3O3
Molecular Weight417.82 g/mol
Exact Mass417.11
IUPAC NameN-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C18H18F3N3O3.ClH/c19-18(20,21)11-27-16-6-3-13(9-23-16)17(25)24-14-4-1-12(2-5-14)15-10-22-7-8-26-15;/h1-6,9,15,22H,7-8,10-11H2,(H,24,25);1H/t15-;/m1./s1
InChIKeyPUJJCMDBMNVHGM-XFULWGLBSA-N
XLogP3.36
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.82
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride (CID 66705787) is N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride?
The InChIKey is PUJJCMDBMNVHGM-XFULWGLBSA-N. The full InChI is InChI=1S/C18H18F3N3O3.ClH/c19-18(20,21)11-27-16-6-3-13(9-23-16)17(25)24-14-4-1-12(2-5-14)15-10-22-7-8-26-15;/h1-6,9,15,22H,7-8,10-11H2,(H,24,25);1H/t15-;/m1./s1.
What are the key properties of N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride?
N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride has a molecular weight of 417.82 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 66705787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).