[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C19H19F3N2O4 — CID 51070963

IUPAC[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCOc1ccccc1OCC1CN(C(=O)c2ccc(C(F)(F)F)nc2)CCO1
InChIInChI=1S/C19H19F3N2O4/c1-26-15-4-2-3-5-16(15)28-12-14-11-24(8-9-27-14)18(25)13-6-7-17(23-10-13)19(20,21)22/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyZYPZNAZOEKDDCK-UHFFFAOYSA-N
MW396.37 g/mol
LogP3.03
Rot. Bonds5

About [2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 51070963) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is [2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID51070963
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC Name[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCOc1ccccc1OCC1CN(C(=O)c2ccc(C(F)(F)F)nc2)CCO1
InChIInChI=1S/C19H19F3N2O4/c1-26-15-4-2-3-5-16(15)28-12-14-11-24(8-9-27-14)18(25)13-6-7-17(23-10-13)19(20,21)22/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyZYPZNAZOEKDDCK-UHFFFAOYSA-N
XLogP3.03
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-1,4-diazepan-1-yl)ethyl)nicotinamide
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6-Methyl-N-[3-(2-p-tolyloxy-acetylamino)-propyl]-nicotinamide
CID 6498659
(6-(4-Fluorophenoxy)pyridin-3-yl)(4-isopropylpiperazin-1-yl)methanone
CID 24771017
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-ethoxypyridine-3-carboxamide
CID 2999712
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-ethoxy-N-methylpyridine-3-carboxamide
CID 4882369
N,N-dimethyl-2-[4-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]piperidin-1-yl]pyridine-3-carboxamide
CID 10552164
N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperazin-1-yl)ethyl)-2-phenoxynicotinamide
CID 44579186
N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-1,4-diazepan-1-yl)ethyl)nicotinamide
CID 44579231
2-(4-Fluorophenyl)-6-(phenoxymethyl)-3,4-dihydro-2,7-naphthyridin-1-one
CID 90645520
N-methyl-2-phenoxy-N-[2-(2-pyridinyl)ethyl]nicotinamide
CID 2813923
6-methyl-N-(3-{[(3-methylphenoxy)acetyl]amino}propyl)nicotinamide
CID 6498658
[4-(2,2-Difluoroethyl)-2-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 60199269

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 51070963) is [2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is COc1ccccc1OCC1CN(C(=O)c2ccc(C(F)(F)F)nc2)CCO1.
What is the InChIKey of [2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is ZYPZNAZOEKDDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-26-15-4-2-3-5-16(15)28-12-14-11-24(8-9-27-14)18(25)13-6-7-17(23-10-13)19(20,21)22/h2-7,10,14H,8-9,11-12H2,1H3.
What are the key properties of [2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 396.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 51070963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).