[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(4-ethyl-5-hydroxy-2-pyridinyl)methanone;5-hydroxy-4-methoxypyridine-2-carboxylic acid;4-methoxy-5-piperidin-4-ylpyridin-2-amine;dihydrochloride

C37H50Cl2N8O8 — CID 159550160

IUPAC[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(4-ethyl-5-hydroxy-2-pyridinyl)methanone;5-hydroxy-4-methoxypyridine-2-carboxylic acid;4-methoxy-5-piperidin-4-ylpyridin-2-amine;dihydrochloride
SMILESCCc1cc(C(=O)N2CCC(c3cnc(N)cc3OC)CC2)ncc1O.COc1cc(C(=O)O)ncc1O.COc1cc(N)ncc1C1CCNCC1.Cl.Cl
InChIInChI=1S/C19H24N4O3.C11H17N3O.C7H7NO4.2ClH/c1-3-12-8-15(21-11-16(12)24)19(25)23-6-4-13(5-7-23)14-10-22-18(20)9-17(14)26-2;1-15-10-6-11(12)14-7-9(10)8-2-4-13-5-3-8;1-12-6-2-4(7(10)11)8-3-5(6)9;;/h8-11,13,24H,3-7H2,1-2H3,(H2,20,22);6-8,13H,2-5H2,1H3,(H2,12,14);2-3,9H,1H3,(H,10,11);2*1H
InChIKeyLYPSONPHQKLGKY-UHFFFAOYSA-N
MW805.76 g/mol
LogP4.83
Rot. Bonds8

About [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(4-ethyl-5-hydroxy-2-pyridinyl)methanone;5-hydroxy-4-methoxypyridine-2-carboxylic acid;4-methoxy-5-piperidin-4-ylpyridin-2-amine;dihydrochloride

[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(4-ethyl-5-hydroxy-2-pyridinyl)methanone;5-hydroxy-4-methoxypyridine-2-carboxylic acid;4-methoxy-5-piperidin-4-ylpyridin-2-amine;dihydrochloride (PubChem CID 159550160) has the molecular formula C37H50Cl2N8O8 and a molecular weight of 805.76 g/mol. Its IUPAC name is [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(4-ethyl-5-hydroxy-2-pyridinyl)methanone;5-hydroxy-4-methoxypyridine-2-carboxylic acid;4-methoxy-5-piperidin-4-ylpyridin-2-amine;dihydrochloride.

Molecular Properties

Compound Name[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(4-ethyl-5-hydroxy-2-pyridinyl)methanone;5-hydroxy-4-methoxypyridine-2-carboxylic acid;4-methoxy-5-piperidin-4-ylpyridin-2-amine;dihydrochloride
PubChem CID159550160
Molecular FormulaC37H50Cl2N8O8
Molecular Weight805.76 g/mol
Exact Mass804.31
IUPAC Name[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(4-ethyl-5-hydroxy-2-pyridinyl)methanone;5-hydroxy-4-methoxypyridine-2-carboxylic acid;4-methoxy-5-piperidin-4-ylpyridin-2-amine;dihydrochloride
SMILESCCc1cc(C(=O)N2CCC(c3cnc(N)cc3OC)CC2)ncc1O.COc1cc(C(=O)O)ncc1O.COc1cc(N)ncc1C1CCNCC1.Cl.Cl
InChIInChI=1S/C19H24N4O3.C11H17N3O.C7H7NO4.2ClH/c1-3-12-8-15(21-11-16(12)24)19(25)23-6-4-13(5-7-23)14-10-22-18(20)9-17(14)26-2;1-15-10-6-11(12)14-7-9(10)8-2-4-13-5-3-8;1-12-6-2-4(7(10)11)8-3-5(6)9;;/h8-11,13,24H,3-7H2,1-2H3,(H2,20,22);6-8,13H,2-5H2,1H3,(H2,12,14);2-3,9H,1H3,(H,10,11);2*1H
InChIKeyLYPSONPHQKLGKY-UHFFFAOYSA-N
XLogP4.83
TPSA241.39 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500805.76
LogP ≤ 54.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(4-ethyl-5-hydroxy-2-pyridinyl)methanone;5-hydroxy-4-methoxypyridine-2-carboxylic acid;4-methoxy-5-piperidin-4-ylpyridin-2-amine;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(4-ethyl-5-hydroxy-2-pyridinyl)methanone;5-hydroxy-4-methoxypyridine-2-carboxylic acid;4-methoxy-5-piperidin-4-ylpyridin-2-amine;dihydrochloride?
The IUPAC name of [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(4-ethyl-5-hydroxy-2-pyridinyl)methanone;5-hydroxy-4-methoxypyridine-2-carboxylic acid;4-methoxy-5-piperidin-4-ylpyridin-2-amine;dihydrochloride (CID 159550160) is [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(4-ethyl-5-hydroxy-2-pyridinyl)methanone;5-hydroxy-4-methoxypyridine-2-carboxylic acid;4-methoxy-5-piperidin-4-ylpyridin-2-amine;dihydrochloride.
What is the SMILES notation for [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(4-ethyl-5-hydroxy-2-pyridinyl)methanone;5-hydroxy-4-methoxypyridine-2-carboxylic acid;4-methoxy-5-piperidin-4-ylpyridin-2-amine;dihydrochloride?
The canonical SMILES for [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(4-ethyl-5-hydroxy-2-pyridinyl)methanone;5-hydroxy-4-methoxypyridine-2-carboxylic acid;4-methoxy-5-piperidin-4-ylpyridin-2-amine;dihydrochloride is CCc1cc(C(=O)N2CCC(c3cnc(N)cc3OC)CC2)ncc1O.COc1cc(C(=O)O)ncc1O.COc1cc(N)ncc1C1CCNCC1.Cl.Cl.
What is the InChIKey of [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(4-ethyl-5-hydroxy-2-pyridinyl)methanone;5-hydroxy-4-methoxypyridine-2-carboxylic acid;4-methoxy-5-piperidin-4-ylpyridin-2-amine;dihydrochloride?
The InChIKey is LYPSONPHQKLGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3.C11H17N3O.C7H7NO4.2ClH/c1-3-12-8-15(21-11-16(12)24)19(25)23-6-4-13(5-7-23)14-10-22-18(20)9-17(14)26-2;1-15-10-6-11(12)14-7-9(10)8-2-4-13-5-3-8;1-12-6-2-4(7(10)11)8-3-5(6)9;;/h8-11,13,24H,3-7H2,1-2H3,(H2,20,22);6-8,13H,2-5H2,1H3,(H2,12,14);2-3,9H,1H3,(H,10,11);2*1H.
What are the key properties of [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(4-ethyl-5-hydroxy-2-pyridinyl)methanone;5-hydroxy-4-methoxypyridine-2-carboxylic acid;4-methoxy-5-piperidin-4-ylpyridin-2-amine;dihydrochloride?
[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(4-ethyl-5-hydroxy-2-pyridinyl)methanone;5-hydroxy-4-methoxypyridine-2-carboxylic acid;4-methoxy-5-piperidin-4-ylpyridin-2-amine;dihydrochloride has a molecular weight of 805.76 g/mol, XLogP of 4.83, 8 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(4-ethyl-5-hydroxy-2-pyridinyl)methanone;5-hydroxy-4-methoxypyridine-2-carboxylic acid;4-methoxy-5-piperidin-4-ylpyridin-2-amine;dihydrochloride is sourced from PubChem (CID 159550160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).