[5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone

C20H23N7O2 — CID 123879320

IUPAC[5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
SMILESCc1ccc(C(=O)N2CC(Oc3cc(N)ccn3)CCC2C)c(-n2nccn2)n1
InChIInChI=1S/C20H23N7O2/c1-13-3-6-17(19(25-13)27-23-9-10-24-27)20(28)26-12-16(5-4-14(26)2)29-18-11-15(21)7-8-22-18/h3,6-11,14,16H,4-5,12H2,1-2H3,(H2,21,22)
InChIKeyNTJPVCKWBKSKEL-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.02
Rot. Bonds4

About [5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone

[5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone (PubChem CID 123879320) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is [5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
PubChem CID123879320
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name[5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
SMILESCc1ccc(C(=O)N2CC(Oc3cc(N)ccn3)CCC2C)c(-n2nccn2)n1
InChIInChI=1S/C20H23N7O2/c1-13-3-6-17(19(25-13)27-23-9-10-24-27)20(28)26-12-16(5-4-14(26)2)29-18-11-15(21)7-8-22-18/h3,6-11,14,16H,4-5,12H2,1-2H3,(H2,21,22)
InChIKeyNTJPVCKWBKSKEL-UHFFFAOYSA-N
XLogP2.02
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone with MolForge

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Related Compounds

[5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 123817148
[5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 123930986
2-[(3R,6R)-1-[4-cyano-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile
CID 71526395
[2-methyl-5-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 46212820
[(2R,5R)-2-methyl-5-[[4-(oxetan-3-yloxy)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 78325001
[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)-3-pyridinyl]methanone
CID 78324920
[(2R,5R)-5-[[4-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 78324952
[(2R,5R)-5-[[4-(1,1-difluoro-2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86281448
[(2R,5R)-5-[[4-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)thiophen-3-yl]methanone
CID 78324973
[(2R,5R)-5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1H-pyridin-4-one
CID 158066980
[(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46212053
methyl 2-[1-(6-methoxy-2-pyrimidin-2-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carboxylate
CID 90237819

Frequently Asked Questions

What is the IUPAC name of [5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?
The IUPAC name of [5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone (CID 123879320) is [5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone.
What is the SMILES notation for [5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?
The canonical SMILES for [5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone is Cc1ccc(C(=O)N2CC(Oc3cc(N)ccn3)CCC2C)c(-n2nccn2)n1.
What is the InChIKey of [5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?
The InChIKey is NTJPVCKWBKSKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-13-3-6-17(19(25-13)27-23-9-10-24-27)20(28)26-12-16(5-4-14(26)2)29-18-11-15(21)7-8-22-18/h3,6-11,14,16H,4-5,12H2,1-2H3,(H2,21,22).
What are the key properties of [5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?
[5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone has a molecular weight of 393.45 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 123879320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).