2-(morpholine-4-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide

C17H14F3N3O3 — CID 109083105

IUPAC2-(morpholine-4-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccnc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C17H14F3N3O3/c18-11-1-2-12(15(20)14(11)19)22-16(24)10-3-4-21-13(9-10)17(25)23-5-7-26-8-6-23/h1-4,9H,5-8H2,(H,22,24)
InChIKeyKFHRRXIYEZMAMP-UHFFFAOYSA-N
MW365.31 g/mol
LogP2.22
Rot. Bonds3

About 2-(morpholine-4-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide

2-(morpholine-4-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide (PubChem CID 109083105) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is 2-(morpholine-4-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(morpholine-4-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
PubChem CID109083105
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Name2-(morpholine-4-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccnc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C17H14F3N3O3/c18-11-1-2-12(15(20)14(11)19)22-16(24)10-3-4-21-13(9-10)17(25)23-5-7-26-8-6-23/h1-4,9H,5-8H2,(H,22,24)
InChIKeyKFHRRXIYEZMAMP-UHFFFAOYSA-N
XLogP2.22
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dichlorophenyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083093
2-(3-methylpiperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109090445
N-(3,5-dichlorophenyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083095
N-(2,4-dichlorophenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082935
2-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109091631
N-(2-methylpropyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109079570
N-(2-fluorophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081286
N-(2,4-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084394
N-(4-fluorophenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082885
2-amino-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 62151990
4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109044714
2-(azepane-1-carbonyl)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide
CID 109090794

Frequently Asked Questions

What is the IUPAC name of 2-(morpholine-4-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(morpholine-4-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide (CID 109083105) is 2-(morpholine-4-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(morpholine-4-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(morpholine-4-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1ccnc(C(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(morpholine-4-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide?
The InChIKey is KFHRRXIYEZMAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c18-11-1-2-12(15(20)14(11)19)22-16(24)10-3-4-21-13(9-10)17(25)23-5-7-26-8-6-23/h1-4,9H,5-8H2,(H,22,24).
What are the key properties of 2-(morpholine-4-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide?
2-(morpholine-4-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide has a molecular weight of 365.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholine-4-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109083105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).