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

C24H27N5O3 — CID 123425713

IUPAC[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyridin-4-yl-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CC(Oc3nccc(N)c3C)CCC2C)c(-c2ccncc2)n1
InChIInChI=1S/C24H27N5O3/c1-15-4-5-18(32-23-16(2)20(25)10-13-27-23)14-29(15)24(30)19-6-7-21(31-3)28-22(19)17-8-11-26-12-9-17/h6-13,15,18H,4-5,14H2,1-3H3,(H2,25,27)
InChIKeyXRUFQKIKWYHUKC-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.51
Rot. Bonds5

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

[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyridin-4-yl-3-pyridinyl)methanone (PubChem CID 123425713) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyridin-4-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyridin-4-yl-3-pyridinyl)methanone
PubChem CID123425713
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyridin-4-yl-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CC(Oc3nccc(N)c3C)CCC2C)c(-c2ccncc2)n1
InChIInChI=1S/C24H27N5O3/c1-15-4-5-18(32-23-16(2)20(25)10-13-27-23)14-29(15)24(30)19-6-7-21(31-3)28-22(19)17-8-11-26-12-9-17/h6-13,15,18H,4-5,14H2,1-3H3,(H2,25,27)
InChIKeyXRUFQKIKWYHUKC-UHFFFAOYSA-N
XLogP3.51
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methoxy-2-(1H-pyrazol-5-yl)-3-pyridinyl]methanone
CID 123315566
[(Z)-3-amino-2-[3-[(2R,5R)-5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-methoxy-2-pyridinyl]prop-2-enylidene]azanium
CID 144616287
[(2R,5R)-2,5-dimethylpiperidin-1-yl]-(6-methoxy-2-pyridin-4-yl-3-pyridinyl)methanone
CID 144616336
2-[(3R,6R)-1-(2-chloro-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
CID 90110369
2-[(3R,6R)-1-(2-chloro-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile;2-[(3R,6R)-1-(6-methoxy-2-phenylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane
CID 157232278
methyl 2-[1-(6-methoxy-2-pyrimidin-2-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carboxylate
CID 90237819
[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]-(2-phenyl-3-pyridinyl)methanone
CID 121439819
6-methoxy-2-pyridin-4-ylpyridine-3-carboxylic acid
CID 170984889
[5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 123879320
[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-ethylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 123549080
3-methyl-2-[(3R,6R)-6-methyl-1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile
CID 74222492
2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile
CID 123353296

Frequently Asked Questions

What is the IUPAC name of [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyridin-4-yl-3-pyridinyl)methanone?
The IUPAC name of [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyridin-4-yl-3-pyridinyl)methanone (CID 123425713) is [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyridin-4-yl-3-pyridinyl)methanone.
What is the SMILES notation for [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyridin-4-yl-3-pyridinyl)methanone?
The canonical SMILES for [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyridin-4-yl-3-pyridinyl)methanone is COc1ccc(C(=O)N2CC(Oc3nccc(N)c3C)CCC2C)c(-c2ccncc2)n1.
What is the InChIKey of [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyridin-4-yl-3-pyridinyl)methanone?
The InChIKey is XRUFQKIKWYHUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-15-4-5-18(32-23-16(2)20(25)10-13-27-23)14-29(15)24(30)19-6-7-21(31-3)28-22(19)17-8-11-26-12-9-17/h6-13,15,18H,4-5,14H2,1-3H3,(H2,25,27).
What are the key properties of [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyridin-4-yl-3-pyridinyl)methanone?
[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyridin-4-yl-3-pyridinyl)methanone has a molecular weight of 433.51 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyridin-4-yl-3-pyridinyl)methanone is sourced from PubChem (CID 123425713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).