(2S)-4-[[6-(2,6-difluorophenoxy)-3-pyridinyl]methyl]-N-methylmorpholine-2-carboxamide

C18H19F2N3O3 — CID 146522960

IUPAC(2S)-4-[[6-(2,6-difluorophenoxy)-3-pyridinyl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2ccc(Oc3c(F)cccc3F)nc2)CCO1
InChIInChI=1S/C18H19F2N3O3/c1-21-18(24)15-11-23(7-8-25-15)10-12-5-6-16(22-9-12)26-17-13(19)3-2-4-14(17)20/h2-6,9,15H,7-8,10-11H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyDHQOMECKXUFMQN-HNNXBMFYSA-N
MW363.36 g/mol
LogP2.10
Rot. Bonds5

About (2S)-4-[[6-(2,6-difluorophenoxy)-3-pyridinyl]methyl]-N-methylmorpholine-2-carboxamide

(2S)-4-[[6-(2,6-difluorophenoxy)-3-pyridinyl]methyl]-N-methylmorpholine-2-carboxamide (PubChem CID 146522960) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is (2S)-4-[[6-(2,6-difluorophenoxy)-3-pyridinyl]methyl]-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[[6-(2,6-difluorophenoxy)-3-pyridinyl]methyl]-N-methylmorpholine-2-carboxamide
PubChem CID146522960
Molecular FormulaC18H19F2N3O3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Name(2S)-4-[[6-(2,6-difluorophenoxy)-3-pyridinyl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2ccc(Oc3c(F)cccc3F)nc2)CCO1
InChIInChI=1S/C18H19F2N3O3/c1-21-18(24)15-11-23(7-8-25-15)10-12-5-6-16(22-9-12)26-17-13(19)3-2-4-14(17)20/h2-6,9,15H,7-8,10-11H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyDHQOMECKXUFMQN-HNNXBMFYSA-N
XLogP2.10
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[[6-(2-fluoro-6-methylphenoxy)-3-pyridinyl]methyl]morpholine-2-carbaldehyde
CID 146554326
(2R)-4-[(6-methoxy-3-pyridinyl)methyl]morpholine-2-carboxamide
CID 97045083
(2S)-4-[[4-(2,4-difluorophenoxy)phenyl]methyl]-N-methylmorpholine-2-carboxamide
CID 157475678
1-[(2S)-4-[[2-(2-fluorophenoxy)pyrimidin-5-yl]methyl]morpholin-2-yl]propan-1-one
CID 157281853
(2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
CID 146526470
4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide
CID 86786686
N-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide
CID 166602296
4-(2-fluoroethyl)-N-methylmorpholine-2-carboxamide
CID 130629034
N-methyl-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
CID 165435131
N-phenyl-4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxamide
CID 110246611
methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate
CID 78926315
N-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide
CID 155981047

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[6-(2,6-difluorophenoxy)-3-pyridinyl]methyl]-N-methylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-[[6-(2,6-difluorophenoxy)-3-pyridinyl]methyl]-N-methylmorpholine-2-carboxamide (CID 146522960) is (2S)-4-[[6-(2,6-difluorophenoxy)-3-pyridinyl]methyl]-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[[6-(2,6-difluorophenoxy)-3-pyridinyl]methyl]-N-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[[6-(2,6-difluorophenoxy)-3-pyridinyl]methyl]-N-methylmorpholine-2-carboxamide is CNC(=O)[C@@H]1CN(Cc2ccc(Oc3c(F)cccc3F)nc2)CCO1.
What is the InChIKey of (2S)-4-[[6-(2,6-difluorophenoxy)-3-pyridinyl]methyl]-N-methylmorpholine-2-carboxamide?
The InChIKey is DHQOMECKXUFMQN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c1-21-18(24)15-11-23(7-8-25-15)10-12-5-6-16(22-9-12)26-17-13(19)3-2-4-14(17)20/h2-6,9,15H,7-8,10-11H2,1H3,(H,21,24)/t15-/m0/s1.
What are the key properties of (2S)-4-[[6-(2,6-difluorophenoxy)-3-pyridinyl]methyl]-N-methylmorpholine-2-carboxamide?
(2S)-4-[[6-(2,6-difluorophenoxy)-3-pyridinyl]methyl]-N-methylmorpholine-2-carboxamide has a molecular weight of 363.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[6-(2,6-difluorophenoxy)-3-pyridinyl]methyl]-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 146522960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).