[2-(1-but-3-enyltriazol-4-yl)morpholin-4-yl]-(5-phenyl-2-pyridinyl)methanone

C22H23N5O2 — CID 167923159

IUPAC[2-(1-but-3-enyltriazol-4-yl)morpholin-4-yl]-(5-phenyl-2-pyridinyl)methanone
SMILESC=CCCn1cc(C2CN(C(=O)c3ccc(-c4ccccc4)cn3)CCO2)nn1
InChIInChI=1S/C22H23N5O2/c1-2-3-11-27-15-20(24-25-27)21-16-26(12-13-29-21)22(28)19-10-9-18(14-23-19)17-7-5-4-6-8-17/h2,4-10,14-15,21H,1,3,11-13,16H2
InChIKeyCMWSKAZNEXCOEO-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.13
Rot. Bonds6

About [2-(1-but-3-enyltriazol-4-yl)morpholin-4-yl]-(5-phenyl-2-pyridinyl)methanone

[2-(1-but-3-enyltriazol-4-yl)morpholin-4-yl]-(5-phenyl-2-pyridinyl)methanone (PubChem CID 167923159) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is [2-(1-but-3-enyltriazol-4-yl)morpholin-4-yl]-(5-phenyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(1-but-3-enyltriazol-4-yl)morpholin-4-yl]-(5-phenyl-2-pyridinyl)methanone
PubChem CID167923159
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name[2-(1-but-3-enyltriazol-4-yl)morpholin-4-yl]-(5-phenyl-2-pyridinyl)methanone
SMILESC=CCCn1cc(C2CN(C(=O)c3ccc(-c4ccccc4)cn3)CCO2)nn1
InChIInChI=1S/C22H23N5O2/c1-2-3-11-27-15-20(24-25-27)21-16-26(12-13-29-21)22(28)19-10-9-18(14-23-19)17-7-5-4-6-8-17/h2,4-10,14-15,21H,1,3,11-13,16H2
InChIKeyCMWSKAZNEXCOEO-UHFFFAOYSA-N
XLogP3.13
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 131673609
[2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 127251356
[(2R)-2-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 31414918
2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 124515416
[1-(4-methylphenyl)triazol-4-yl]-(2-phenylmorpholin-4-yl)methanone
CID 86985839
2-phenoxy-1-[2-(5-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]ethanone
CID 127250284
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 125024334
6-(2-ethylmorpholine-4-carbonyl)-N'-hydroxypyridine-3-carboximidamide
CID 76951823
5-[1-[[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]methyl]triazol-4-yl]pyridine-2-carboxylic acid
CID 167803748
1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one
CID 127252242
3-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]-3-pyridinyl]benzoic acid
CID 175660676
4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid
CID 119239902

Frequently Asked Questions

What is the IUPAC name of [2-(1-but-3-enyltriazol-4-yl)morpholin-4-yl]-(5-phenyl-2-pyridinyl)methanone?
The IUPAC name of [2-(1-but-3-enyltriazol-4-yl)morpholin-4-yl]-(5-phenyl-2-pyridinyl)methanone (CID 167923159) is [2-(1-but-3-enyltriazol-4-yl)morpholin-4-yl]-(5-phenyl-2-pyridinyl)methanone.
What is the SMILES notation for [2-(1-but-3-enyltriazol-4-yl)morpholin-4-yl]-(5-phenyl-2-pyridinyl)methanone?
The canonical SMILES for [2-(1-but-3-enyltriazol-4-yl)morpholin-4-yl]-(5-phenyl-2-pyridinyl)methanone is C=CCCn1cc(C2CN(C(=O)c3ccc(-c4ccccc4)cn3)CCO2)nn1.
What is the InChIKey of [2-(1-but-3-enyltriazol-4-yl)morpholin-4-yl]-(5-phenyl-2-pyridinyl)methanone?
The InChIKey is CMWSKAZNEXCOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-2-3-11-27-15-20(24-25-27)21-16-26(12-13-29-21)22(28)19-10-9-18(14-23-19)17-7-5-4-6-8-17/h2,4-10,14-15,21H,1,3,11-13,16H2.
What are the key properties of [2-(1-but-3-enyltriazol-4-yl)morpholin-4-yl]-(5-phenyl-2-pyridinyl)methanone?
[2-(1-but-3-enyltriazol-4-yl)morpholin-4-yl]-(5-phenyl-2-pyridinyl)methanone has a molecular weight of 389.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-but-3-enyltriazol-4-yl)morpholin-4-yl]-(5-phenyl-2-pyridinyl)methanone is sourced from PubChem (CID 167923159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).