N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide

C19H21F3N4O2 — CID 109229551

IUPACN-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cncc(Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)16-3-1-2-4-17(16)25-15-11-14(12-23-13-15)18(27)24-5-6-26-7-9-28-10-8-26/h1-4,11-13,25H,5-10H2,(H,24,27)
InChIKeyRFNKDJGHECSDPC-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.91
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109229551) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109229551
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC NameN-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cncc(Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)16-3-1-2-4-17(16)25-15-11-14(12-23-13-15)18(27)24-5-6-26-7-9-28-10-8-26/h1-4,11-13,25H,5-10H2,(H,24,27)
InChIKeyRFNKDJGHECSDPC-UHFFFAOYSA-N
XLogP2.91
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109154183
N-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109235856
5-(3,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229512
5-[2-(2-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229476
N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109233370
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109227465
N-(2-ethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229652
(4-methylpiperazin-1-yl)-[5-[2-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109230180
3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109236090
N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109016632
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108960459
2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42747851

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109229551) is N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide is O=C(NCCN1CCOCC1)c1cncc(Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is RFNKDJGHECSDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c20-19(21,22)16-3-1-2-4-17(16)25-15-11-14(12-23-13-15)18(27)24-5-6-26-7-9-28-10-8-26/h1-4,11-13,25H,5-10H2,(H,24,27).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109229551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).