N-(3-methyl-2-morpholin-4-ylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C16H22F3N3O3 — CID 46974488

IUPACN-(3-methyl-2-morpholin-4-ylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)C(CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O)N1CCOCC1
InChIInChI=1S/C16H22F3N3O3/c1-10(2)12(22-5-7-25-8-6-22)9-20-14(23)11-3-4-13(16(17,18)19)21-15(11)24/h3-4,10,12H,5-9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyDMTNJMSMFFUGGQ-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.48
Rot. Bonds5

About N-(3-methyl-2-morpholin-4-ylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(3-methyl-2-morpholin-4-ylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 46974488) has the molecular formula C16H22F3N3O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-(3-methyl-2-morpholin-4-ylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-morpholin-4-ylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID46974488
Molecular FormulaC16H22F3N3O3
Molecular Weight361.36 g/mol
Exact Mass361.16
IUPAC NameN-(3-methyl-2-morpholin-4-ylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)C(CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O)N1CCOCC1
InChIInChI=1S/C16H22F3N3O3/c1-10(2)12(22-5-7-25-8-6-22)9-20-14(23)11-3-4-13(16(17,18)19)21-15(11)24/h3-4,10,12H,5-9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyDMTNJMSMFFUGGQ-UHFFFAOYSA-N
XLogP1.48
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 46974488) is N-(3-methyl-2-morpholin-4-ylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-2-morpholin-4-ylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-methyl-2-morpholin-4-ylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CC(C)C(CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O)N1CCOCC1.
What is the InChIKey of N-(3-methyl-2-morpholin-4-ylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is DMTNJMSMFFUGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3/c1-10(2)12(22-5-7-25-8-6-22)9-20-14(23)11-3-4-13(16(17,18)19)21-15(11)24/h3-4,10,12H,5-9H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-methyl-2-morpholin-4-ylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(3-methyl-2-morpholin-4-ylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 361.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-morpholin-4-ylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 46974488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).