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

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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).