[(2R)-2-ethylmorpholin-4-yl]-[4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]methanone

C20H21N5O2 — CID 125437166

IUPAC[(2R)-2-ethylmorpholin-4-yl]-[4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]methanone
SMILESCC[C@@H]1CN(C(=O)c2ccc(-c3ccc(-n4cnnc4)nc3)cc2)CCO1
InChIInChI=1S/C20H21N5O2/c1-2-18-12-24(9-10-27-18)20(26)16-5-3-15(4-6-16)17-7-8-19(21-11-17)25-13-22-23-14-25/h3-8,11,13-14,18H,2,9-10,12H2,1H3/t18-/m1/s1
InChIKeySJCQDIKESFLTNP-GOSISDBHSA-N
MW363.42 g/mol
LogP2.58
Rot. Bonds4

About [(2R)-2-ethylmorpholin-4-yl]-[4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]methanone

[(2R)-2-ethylmorpholin-4-yl]-[4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]methanone (PubChem CID 125437166) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is [(2R)-2-ethylmorpholin-4-yl]-[4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-ethylmorpholin-4-yl]-[4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]methanone
PubChem CID125437166
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name[(2R)-2-ethylmorpholin-4-yl]-[4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]methanone
SMILESCC[C@@H]1CN(C(=O)c2ccc(-c3ccc(-n4cnnc4)nc3)cc2)CCO1
InChIInChI=1S/C20H21N5O2/c1-2-18-12-24(9-10-27-18)20(26)16-5-3-15(4-6-16)17-7-8-19(21-11-17)25-13-22-23-14-25/h3-8,11,13-14,18H,2,9-10,12H2,1H3/t18-/m1/s1
InChIKeySJCQDIKESFLTNP-GOSISDBHSA-N
XLogP2.58
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-ethylmorpholin-4-yl]-[4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]methanone with MolForge

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Related Compounds

(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107023047
(2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone
CID 43070670
1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one
CID 42943561
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 112705730
(2-ethylmorpholin-4-yl)-(1-pyridin-4-ylpyrazol-4-yl)methanone
CID 154797843
6-(2-ethylmorpholine-4-carbonyl)-N'-hydroxypyridine-3-carboximidamide
CID 76951823
[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 95551102
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
(5-amino-2-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
CID 81317078
(3,5-dimethylimidazol-4-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone
CID 100685892
(4-tert-butylphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81210456

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-ethylmorpholin-4-yl]-[4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]methanone?
The IUPAC name of [(2R)-2-ethylmorpholin-4-yl]-[4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]methanone (CID 125437166) is [(2R)-2-ethylmorpholin-4-yl]-[4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]methanone.
What is the SMILES notation for [(2R)-2-ethylmorpholin-4-yl]-[4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]methanone?
The canonical SMILES for [(2R)-2-ethylmorpholin-4-yl]-[4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]methanone is CC[C@@H]1CN(C(=O)c2ccc(-c3ccc(-n4cnnc4)nc3)cc2)CCO1.
What is the InChIKey of [(2R)-2-ethylmorpholin-4-yl]-[4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]methanone?
The InChIKey is SJCQDIKESFLTNP-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-2-18-12-24(9-10-27-18)20(26)16-5-3-15(4-6-16)17-7-8-19(21-11-17)25-13-22-23-14-25/h3-8,11,13-14,18H,2,9-10,12H2,1H3/t18-/m1/s1.
What are the key properties of [(2R)-2-ethylmorpholin-4-yl]-[4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]methanone?
[(2R)-2-ethylmorpholin-4-yl]-[4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]methanone has a molecular weight of 363.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-ethylmorpholin-4-yl]-[4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]methanone is sourced from PubChem (CID 125437166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).