methyl 2-[1-(6-methoxy-2-pyrimidin-2-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carboxylate

C24H25N5O5 — CID 90237819

IUPACmethyl 2-[1-(6-methoxy-2-pyrimidin-2-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(OC2CCC(C)N(C(=O)c3ccc(OC)nc3-c3ncccn3)C2)c1
InChIInChI=1S/C24H25N5O5/c1-15-5-6-17(34-20-13-16(9-12-25-20)24(31)33-3)14-29(15)23(30)18-7-8-19(32-2)28-21(18)22-26-10-4-11-27-22/h4,7-13,15,17H,5-6,14H2,1-3H3
InChIKeyDWXHACJTGPWMRJ-UHFFFAOYSA-N
MW463.49 g/mol
LogP2.80
Rot. Bonds6

About methyl 2-[1-(6-methoxy-2-pyrimidin-2-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carboxylate

methyl 2-[1-(6-methoxy-2-pyrimidin-2-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carboxylate (PubChem CID 90237819) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is methyl 2-[1-(6-methoxy-2-pyrimidin-2-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[1-(6-methoxy-2-pyrimidin-2-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carboxylate
PubChem CID90237819
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC Namemethyl 2-[1-(6-methoxy-2-pyrimidin-2-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(OC2CCC(C)N(C(=O)c3ccc(OC)nc3-c3ncccn3)C2)c1
InChIInChI=1S/C24H25N5O5/c1-15-5-6-17(34-20-13-16(9-12-25-20)24(31)33-3)14-29(15)23(30)18-7-8-19(32-2)28-21(18)22-26-10-4-11-27-22/h4,7-13,15,17H,5-6,14H2,1-3H3
InChIKeyDWXHACJTGPWMRJ-UHFFFAOYSA-N
XLogP2.80
TPSA116.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 2-[1-(6-methoxy-2-pyrimidin-2-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carboxylate with MolForge

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Related Compounds

[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyridin-4-yl-3-pyridinyl)methanone
CID 123425713
[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 2-chloropyridine-4-carboxylate;methyl 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carboxylate
CID 158893628
2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile
CID 71526207
[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methoxy-2-(1H-pyrazol-5-yl)-3-pyridinyl]methanone
CID 123315566
2-[(3R,6R)-1-(2-chloro-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
CID 90110369
5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylic acid
CID 90389751
[(2R,5R)-2,5-dimethylpiperidin-1-yl]-(6-methoxy-2-pyridin-4-yl-3-pyridinyl)methanone
CID 144616336
[5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 123879320
[5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 123930986
[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)-3-pyridinyl]methanone
CID 78324920
potassium;tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate;2-fluoro-4-iodo-3-methoxypyridine;4-iodo-3-methoxy-2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine;[(2R,5R)-5-[(4-iodo-3-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyrimidin-2-yl-3-pyridinyl)methanone;6-methoxy-2-pyrimidin-2-ylpyridine-3-carboxylate
CID 162253075
2-[(3R,6R)-1-[4-cyano-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile
CID 71526395

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(6-methoxy-2-pyrimidin-2-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carboxylate?
The IUPAC name of methyl 2-[1-(6-methoxy-2-pyrimidin-2-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carboxylate (CID 90237819) is methyl 2-[1-(6-methoxy-2-pyrimidin-2-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[1-(6-methoxy-2-pyrimidin-2-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carboxylate?
The canonical SMILES for methyl 2-[1-(6-methoxy-2-pyrimidin-2-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carboxylate is COC(=O)c1ccnc(OC2CCC(C)N(C(=O)c3ccc(OC)nc3-c3ncccn3)C2)c1.
What is the InChIKey of methyl 2-[1-(6-methoxy-2-pyrimidin-2-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carboxylate?
The InChIKey is DWXHACJTGPWMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-15-5-6-17(34-20-13-16(9-12-25-20)24(31)33-3)14-29(15)23(30)18-7-8-19(32-2)28-21(18)22-26-10-4-11-27-22/h4,7-13,15,17H,5-6,14H2,1-3H3.
What are the key properties of methyl 2-[1-(6-methoxy-2-pyrimidin-2-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carboxylate?
methyl 2-[1-(6-methoxy-2-pyrimidin-2-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carboxylate has a molecular weight of 463.49 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(6-methoxy-2-pyrimidin-2-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carboxylate is sourced from PubChem (CID 90237819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).