N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;N-(4-pyrrolidin-3-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C34H32F6N6O3 — CID 159360126

IUPACN-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;N-(4-pyrrolidin-3-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2CCNC2)cc1)c1ccc(C(F)(F)F)cn1.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H16F3N3O2.C17H16F3N3O/c18-17(19,20)12-3-6-14(22-9-12)16(24)23-13-4-1-11(2-5-13)15-10-21-7-8-25-15;18-17(19,20)13-3-6-15(22-10-13)16(24)23-14-4-1-11(2-5-14)12-7-8-21-9-12/h1-6,9,15,21H,7-8,10H2,(H,23,24);1-6,10,12,21H,7-9H2,(H,23,24)
InChIKeyLIKWAOFOTHBUSD-UHFFFAOYSA-N
MW686.66 g/mol
LogP6.44
Rot. Bonds6

About N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;N-(4-pyrrolidin-3-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide

N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;N-(4-pyrrolidin-3-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 159360126) has the molecular formula C34H32F6N6O3 and a molecular weight of 686.66 g/mol. Its IUPAC name is N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;N-(4-pyrrolidin-3-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;N-(4-pyrrolidin-3-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID159360126
Molecular FormulaC34H32F6N6O3
Molecular Weight686.66 g/mol
Exact Mass686.24
IUPAC NameN-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;N-(4-pyrrolidin-3-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2CCNC2)cc1)c1ccc(C(F)(F)F)cn1.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H16F3N3O2.C17H16F3N3O/c18-17(19,20)12-3-6-14(22-9-12)16(24)23-13-4-1-11(2-5-13)15-10-21-7-8-25-15;18-17(19,20)13-3-6-15(22-10-13)16(24)23-14-4-1-11(2-5-14)12-7-8-21-9-12/h1-6,9,15,21H,7-8,10H2,(H,23,24);1-6,10,12,21H,7-9H2,(H,23,24)
InChIKeyLIKWAOFOTHBUSD-UHFFFAOYSA-N
XLogP6.44
TPSA117.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.66
LogP ≤ 56.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;N-(4-pyrrolidin-3-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;N-(4-pyrrolidin-3-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 159360126) is N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;N-(4-pyrrolidin-3-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;N-(4-pyrrolidin-3-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;N-(4-pyrrolidin-3-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1ccc(C2CCNC2)cc1)c1ccc(C(F)(F)F)cn1.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;N-(4-pyrrolidin-3-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is LIKWAOFOTHBUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2.C17H16F3N3O/c18-17(19,20)12-3-6-14(22-9-12)16(24)23-13-4-1-11(2-5-13)15-10-21-7-8-25-15;18-17(19,20)13-3-6-15(22-10-13)16(24)23-14-4-1-11(2-5-14)12-7-8-21-9-12/h1-6,9,15,21H,7-8,10H2,(H,23,24);1-6,10,12,21H,7-9H2,(H,23,24).
What are the key properties of N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;N-(4-pyrrolidin-3-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;N-(4-pyrrolidin-3-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 686.66 g/mol, XLogP of 6.44, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;N-(4-pyrrolidin-3-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 159360126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).