1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

C18H25N5O3 — CID 110112507

IUPAC1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCNc1cccc(C2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)n1
InChIInChI=1S/C18H25N5O3/c1-12(2)18-21-16(26-22-18)7-8-17(24)23-9-10-25-14(11-23)13-5-4-6-15(19-3)20-13/h4-6,12,14H,7-11H2,1-3H3,(H,19,20)
InChIKeyXTCRTFSXTUCQKQ-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.16
Rot. Bonds6

About 1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 110112507) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID110112507
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCNc1cccc(C2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)n1
InChIInChI=1S/C18H25N5O3/c1-12(2)18-21-16(26-22-18)7-8-17(24)23-9-10-25-14(11-23)13-5-4-6-15(19-3)20-13/h4-6,12,14H,7-11H2,1-3H3,(H,19,20)
InChIKeyXTCRTFSXTUCQKQ-UHFFFAOYSA-N
XLogP2.16
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 110112458
1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124979682
1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 125000164
1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124986100
(1-aminocyclopentyl)-[(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124962525
1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95583677
1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 110115055
[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 124944788
[(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 125003170
[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone
CID 110112464
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124992900
1H-imidazol-5-yl-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 125016046

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 110112507) is 1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is CNc1cccc(C2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)n1.
What is the InChIKey of 1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is XTCRTFSXTUCQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-12(2)18-21-16(26-22-18)7-8-17(24)23-9-10-25-14(11-23)13-5-4-6-15(19-3)20-13/h4-6,12,14H,7-11H2,1-3H3,(H,19,20).
What are the key properties of 1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 359.43 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 110112507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).