2-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide

C18H17F3N4O3 — CID 51251100

IUPAC2-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide
SMILESO=C(CNC(=O)c1cccnc1N1CCOCC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H17F3N4O3/c19-12-3-4-13(16(21)15(12)20)24-14(26)10-23-18(27)11-2-1-5-22-17(11)25-6-8-28-9-7-25/h1-5H,6-10H2,(H,23,27)(H,24,26)
InChIKeyKBVOPCHSCLDCEM-UHFFFAOYSA-N
MW394.35 g/mol
LogP1.70
Rot. Bonds5

About 2-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide

2-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide (PubChem CID 51251100) has the molecular formula C18H17F3N4O3 and a molecular weight of 394.35 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide
PubChem CID51251100
Molecular FormulaC18H17F3N4O3
Molecular Weight394.35 g/mol
Exact Mass394.13
IUPAC Name2-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide
SMILESO=C(CNC(=O)c1cccnc1N1CCOCC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H17F3N4O3/c19-12-3-4-13(16(21)15(12)20)24-14(26)10-23-18(27)11-2-1-5-22-17(11)25-6-8-28-9-7-25/h1-5H,6-10H2,(H,23,27)(H,24,26)
InChIKeyKBVOPCHSCLDCEM-UHFFFAOYSA-N
XLogP1.70
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-difluorophenyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 154780005
N-(2-aminoethyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119383590
3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119350991
N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 9488209
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 46482531
2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide
CID 110428777
3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 43009760
N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 84576380
2-morpholin-4-yl-N-pentylpyridine-3-carboxamide
CID 36701402
2-morpholin-4-yl-N-naphthalen-1-ylpyridine-3-carboxamide
CID 34000334
2-morpholin-4-yl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 39897733
2-(2-morpholin-4-ylethylcarbamothioylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 8790320

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide (CID 51251100) is 2-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide is O=C(CNC(=O)c1cccnc1N1CCOCC1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide?
The InChIKey is KBVOPCHSCLDCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3/c19-12-3-4-13(16(21)15(12)20)24-14(26)10-23-18(27)11-2-1-5-22-17(11)25-6-8-28-9-7-25/h1-5H,6-10H2,(H,23,27)(H,24,26).
What are the key properties of 2-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide?
2-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide has a molecular weight of 394.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 51251100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).