5-morpholin-4-yl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide

C17H17F3N4O2 — CID 136554169

IUPAC5-morpholin-4-yl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cnccc1C(F)(F)F)c1cncc(N2CCOCC2)c1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)15-1-2-21-9-13(15)10-23-16(25)12-7-14(11-22-8-12)24-3-5-26-6-4-24/h1-2,7-9,11H,3-6,10H2,(H,23,25)
InChIKeyLTBXXTZLDATQMF-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.26
Rot. Bonds4

About 5-morpholin-4-yl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide

5-morpholin-4-yl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 136554169) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 5-morpholin-4-yl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-morpholin-4-yl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID136554169
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name5-morpholin-4-yl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cnccc1C(F)(F)F)c1cncc(N2CCOCC2)c1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)15-1-2-21-9-13(15)10-23-16(25)12-7-14(11-22-8-12)24-3-5-26-6-4-24/h1-2,7-9,11H,3-6,10H2,(H,23,25)
InChIKeyLTBXXTZLDATQMF-UHFFFAOYSA-N
XLogP2.26
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylphenyl)methyl]-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228561
N-(3-methylbutyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228614
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228686
5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109226474
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
5-morpholin-4-yl-N-propan-2-ylpyridine-3-carboxamide
CID 109223170
N-butan-2-yl-5-morpholin-4-ylpyridine-3-carboxamide
CID 109225123
N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228634
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226611
N-(3-acetylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228678
5-(4-formylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109230884
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
CID 51118166

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-morpholin-4-yl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide (CID 136554169) is 5-morpholin-4-yl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-morpholin-4-yl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-morpholin-4-yl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide is O=C(NCc1cnccc1C(F)(F)F)c1cncc(N2CCOCC2)c1.
What is the InChIKey of 5-morpholin-4-yl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is LTBXXTZLDATQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c18-17(19,20)15-1-2-21-9-13(15)10-23-16(25)12-7-14(11-22-8-12)24-3-5-26-6-4-24/h1-2,7-9,11H,3-6,10H2,(H,23,25).
What are the key properties of 5-morpholin-4-yl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
5-morpholin-4-yl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 136554169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).