N-[2-(2-methylmorpholin-4-yl)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide

C14H18F3N3O2 — CID 138004708

IUPACN-[2-(2-methylmorpholin-4-yl)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CN(CCNC(=O)c2cnccc2C(F)(F)F)CCO1
InChIInChI=1S/C14H18F3N3O2/c1-10-9-20(6-7-22-10)5-4-19-13(21)11-8-18-3-2-12(11)14(15,16)17/h2-3,8,10H,4-7,9H2,1H3,(H,19,21)
InChIKeySIZWMRPFBJVXDM-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.55
Rot. Bonds4

About N-[2-(2-methylmorpholin-4-yl)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide

N-[2-(2-methylmorpholin-4-yl)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 138004708) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[2-(2-methylmorpholin-4-yl)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylmorpholin-4-yl)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID138004708
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC NameN-[2-(2-methylmorpholin-4-yl)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CN(CCNC(=O)c2cnccc2C(F)(F)F)CCO1
InChIInChI=1S/C14H18F3N3O2/c1-10-9-20(6-7-22-10)5-4-19-13(21)11-8-18-3-2-12(11)14(15,16)17/h2-3,8,10H,4-7,9H2,1H3,(H,19,21)
InChIKeySIZWMRPFBJVXDM-UHFFFAOYSA-N
XLogP1.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide
CID 138001583
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
N-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]propanamide
CID 71113606
N,N-dimethyl-4-[2-(2-methylmorpholin-4-yl)ethylcarbamoylamino]pyridine-2-carboxamide
CID 138027773
4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 81225983
(3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709614
N'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 5078683
[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone
CID 129483801
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 166241121
1-(4-bromothiophen-3-yl)-3-[2-(2-methylmorpholin-4-yl)ethyl]urea
CID 138025441
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315
N-ethyl-N-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 126497105

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylmorpholin-4-yl)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methylmorpholin-4-yl)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 138004708) is N-[2-(2-methylmorpholin-4-yl)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylmorpholin-4-yl)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylmorpholin-4-yl)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide is CC1CN(CCNC(=O)c2cnccc2C(F)(F)F)CCO1.
What is the InChIKey of N-[2-(2-methylmorpholin-4-yl)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is SIZWMRPFBJVXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-10-9-20(6-7-22-10)5-4-19-13(21)11-8-18-3-2-12(11)14(15,16)17/h2-3,8,10H,4-7,9H2,1H3,(H,19,21).
What are the key properties of N-[2-(2-methylmorpholin-4-yl)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[2-(2-methylmorpholin-4-yl)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 317.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylmorpholin-4-yl)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 138004708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).