[3-[(4-amino-3-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone

C21H24N6O3 — CID 123984776

IUPAC[3-[(4-amino-3-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCOc1c(N)ccnc1OC1CCCN(C(=O)c2cccc(C)c2-n2nccn2)C1
InChIInChI=1S/C21H24N6O3/c1-14-5-3-7-16(18(14)27-24-10-11-25-27)21(28)26-12-4-6-15(13-26)30-20-19(29-2)17(22)8-9-23-20/h3,5,7-11,15H,4,6,12-13H2,1-2H3,(H2,22,23)
InChIKeyURQUWAOEYZMIPD-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.25
Rot. Bonds5

About [3-[(4-amino-3-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone

[3-[(4-amino-3-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 123984776) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is [3-[(4-amino-3-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-[(4-amino-3-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID123984776
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name[3-[(4-amino-3-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCOc1c(N)ccnc1OC1CCCN(C(=O)c2cccc(C)c2-n2nccn2)C1
InChIInChI=1S/C21H24N6O3/c1-14-5-3-7-16(18(14)27-24-10-11-25-27)21(28)26-12-4-6-15(13-26)30-20-19(29-2)17(22)8-9-23-20/h3,5,7-11,15H,4,6,12-13H2,1-2H3,(H2,22,23)
InChIKeyURQUWAOEYZMIPD-UHFFFAOYSA-N
XLogP2.25
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [3-[(4-amino-3-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone with MolForge

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Related Compounds

3-methoxy-2-[(3R,6R)-6-methyl-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
CID 74222164
[(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 130394208
2-[(3R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-3-methoxypyridine-4-carbonitrile
CID 144616252
methyl 4-methyl-2-[(3R)-1-[6-(triazol-2-yl)cyclohexa-1,5-dien-3-yne-1-carbonyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144610227
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
CID 122261254
ethane;methyl 4-methyl-2-[(3R)-1-[6-(triazol-2-yl)cyclohexa-1,5-dien-3-yne-1-carbonyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144610226
methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144651679
(2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 102969309
(3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 145108171
4-methylsulfanyl-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile
CID 144651700
(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259764
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 100612049

Frequently Asked Questions

What is the IUPAC name of [3-[(4-amino-3-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [3-[(4-amino-3-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone (CID 123984776) is [3-[(4-amino-3-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [3-[(4-amino-3-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [3-[(4-amino-3-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone is COc1c(N)ccnc1OC1CCCN(C(=O)c2cccc(C)c2-n2nccn2)C1.
What is the InChIKey of [3-[(4-amino-3-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is URQUWAOEYZMIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-14-5-3-7-16(18(14)27-24-10-11-25-27)21(28)26-12-4-6-15(13-26)30-20-19(29-2)17(22)8-9-23-20/h3,5,7-11,15H,4,6,12-13H2,1-2H3,(H2,22,23).
What are the key properties of [3-[(4-amino-3-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone?
[3-[(4-amino-3-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 408.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-amino-3-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 123984776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).