prop-2-ynyl N-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]carbamate

C14H14F3N3O3 — CID 534180

IUPACprop-2-ynyl N-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]carbamate
SMILESC#CCOC(=O)Nc1cnc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H14F3N3O3/c1-2-5-23-13(21)19-10-8-11(14(15,16)17)12(18-9-10)20-3-6-22-7-4-20/h1,8-9H,3-7H2,(H,19,21)
InChIKeyLLIUCUDKNOKOMA-UHFFFAOYSA-N
MW329.28 g/mol
LogP2.12
Rot. Bonds3

About prop-2-ynyl N-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]carbamate

prop-2-ynyl N-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]carbamate (PubChem CID 534180) has the molecular formula C14H14F3N3O3 and a molecular weight of 329.28 g/mol. Its IUPAC name is prop-2-ynyl N-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameprop-2-ynyl N-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]carbamate
PubChem CID534180
Molecular FormulaC14H14F3N3O3
Molecular Weight329.28 g/mol
Exact Mass329.10
IUPAC Nameprop-2-ynyl N-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]carbamate
SMILESC#CCOC(=O)Nc1cnc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H14F3N3O3/c1-2-5-23-13(21)19-10-8-11(14(15,16)17)12(18-9-10)20-3-6-22-7-4-20/h1,8-9H,3-7H2,(H,19,21)
InChIKeyLLIUCUDKNOKOMA-UHFFFAOYSA-N
XLogP2.12
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-hydroxy-5-methoxy-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 170688004
N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide
CID 134122682
N-(5-bromo-6-morpholin-4-yl-3-pyridinyl)-2-cyanoacetamide
CID 119051217
tert-butyl N-(5-chloro-3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate
CID 139405218
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51324941
morpholin-4-yl-[4-[3-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone
CID 155981081
[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 165431893
tert-butyl N-[[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
CID 176906001
1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 53165799
5-amino-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 53213919
trans-(1S,2S)-N-(2-morpholin-4-yl-3-pyridinyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 95163635
N-[5-(6-but-3-ynoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 135390019

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl N-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]carbamate?
The IUPAC name of prop-2-ynyl N-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]carbamate (CID 534180) is prop-2-ynyl N-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]carbamate.
What is the SMILES notation for prop-2-ynyl N-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]carbamate?
The canonical SMILES for prop-2-ynyl N-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]carbamate is C#CCOC(=O)Nc1cnc(N2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of prop-2-ynyl N-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]carbamate?
The InChIKey is LLIUCUDKNOKOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3/c1-2-5-23-13(21)19-10-8-11(14(15,16)17)12(18-9-10)20-3-6-22-7-4-20/h1,8-9H,3-7H2,(H,19,21).
What are the key properties of prop-2-ynyl N-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]carbamate?
prop-2-ynyl N-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]carbamate has a molecular weight of 329.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 534180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).