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

C17H17ClF3N3O2 — CID 67241009

IUPACN-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H16F3N3O2.ClH/c18-17(19,20)15-6-3-12(9-22-15)16(24)23-13-4-1-11(2-5-13)14-10-21-7-8-25-14;/h1-6,9,14,21H,7-8,10H2,(H,23,24);1H/t14-;/m1./s1
InChIKeyUSEMYEDXVMALMG-PFEQFJNWSA-N
MW387.79 g/mol
LogP3.44
Rot. Bonds3

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

N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 67241009) has the molecular formula C17H17ClF3N3O2 and a molecular weight of 387.79 g/mol. Its IUPAC name is N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
PubChem CID67241009
Molecular FormulaC17H17ClF3N3O2
Molecular Weight387.79 g/mol
Exact Mass387.10
IUPAC NameN-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H16F3N3O2.ClH/c18-17(19,20)15-6-3-12(9-22-15)16(24)23-13-4-1-11(2-5-13)14-10-21-7-8-25-14;/h1-6,9,14,21H,7-8,10H2,(H,23,24);1H/t14-;/m1./s1
InChIKeyUSEMYEDXVMALMG-PFEQFJNWSA-N
XLogP3.44
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride (CID 67241009) is N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is USEMYEDXVMALMG-PFEQFJNWSA-N. The full InChI is InChI=1S/C17H16F3N3O2.ClH/c18-17(19,20)15-6-3-12(9-22-15)16(24)23-13-4-1-11(2-5-13)14-10-21-7-8-25-14;/h1-6,9,14,21H,7-8,10H2,(H,23,24);1H/t14-;/m1./s1.
What are the key properties of N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 387.79 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 67241009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).