N-(4-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide

C13H16F3N3O2 — CID 126810442

IUPACN-(4-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESCc1ccnc(NC(=O)C2COCCN2CC(F)(F)F)c1
InChIInChI=1S/C13H16F3N3O2/c1-9-2-3-17-11(6-9)18-12(20)10-7-21-5-4-19(10)8-13(14,15)16/h2-3,6,10H,4-5,7-8H2,1H3,(H,17,18,20)
InChIKeyNOUOLTVOXBMASD-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.59
Rot. Bonds3

About N-(4-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide

N-(4-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (PubChem CID 126810442) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
PubChem CID126810442
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC NameN-(4-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESCc1ccnc(NC(=O)C2COCCN2CC(F)(F)F)c1
InChIInChI=1S/C13H16F3N3O2/c1-9-2-3-17-11(6-9)18-12(20)10-7-21-5-4-19(10)8-13(14,15)16/h2-3,6,10H,4-5,7-8H2,1H3,(H,17,18,20)
InChIKeyNOUOLTVOXBMASD-UHFFFAOYSA-N
XLogP1.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetylamino-3,3,3-trifluoro-2-(5-methyl-pyridin-2-ylamino)-propionic acid methyl ester
CID 609233
Methyl 2-acetamido-3,3,3-trifluoro-2-[(4-methylpyridin-2-yl)amino]propanoate
CID 3598834
Methyl 2-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate
CID 605295
ethyl 3,3,3-trifluoro-2-[(5-methylpyridin-2-yl)amino]-N-pentanoylalaninate
CID 659845
2,2-dimethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)butanamide
CID 24884489
N-(5-ethyl-4-(morpholinomethyl)pyridin-2-yl)-2,2-dimethylbutanamide
CID 24952500
N-(5-amino-4-(morpholinomethyl)pyridin-2-yl)-2,2-dimethylbutanamide
CID 45487760
N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)pivalamide
CID 45487771
2,2-dimethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)pentanamide
CID 45487780
1-ethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)cyclopropanecarboxamide
CID 45487781
1-ethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)cyclobutanecarboxamide
CID 45487782
N-[2,2,2-Trifluoro-1-(4-methyl-pyridin-2-ylamino)-1-trifluoromethyl-ethyl]-isobutyramide
CID 913318

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (CID 126810442) is N-(4-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is Cc1ccnc(NC(=O)C2COCCN2CC(F)(F)F)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The InChIKey is NOUOLTVOXBMASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-9-2-3-17-11(6-9)18-12(20)10-7-21-5-4-19(10)8-13(14,15)16/h2-3,6,10H,4-5,7-8H2,1H3,(H,17,18,20).
What are the key properties of N-(4-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
N-(4-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide has a molecular weight of 303.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is sourced from PubChem (CID 126810442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).