methyl 6-[(2-hydroxy-1-methylcyclohexyl)methylamino]-2-methoxypyridine-3-carboxylate

C16H24N2O4 — CID 133492515

IUPACmethyl 6-[(2-hydroxy-1-methylcyclohexyl)methylamino]-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC2(C)CCCCC2O)nc1OC
InChIInChI=1S/C16H24N2O4/c1-16(9-5-4-6-12(16)19)10-17-13-8-7-11(15(20)22-3)14(18-13)21-2/h7-8,12,19H,4-6,9-10H2,1-3H3,(H,17,18)
InChIKeyLTQVUQHPFGATSK-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.23
Rot. Bonds5

About methyl 6-[(2-hydroxy-1-methylcyclohexyl)methylamino]-2-methoxypyridine-3-carboxylate

methyl 6-[(2-hydroxy-1-methylcyclohexyl)methylamino]-2-methoxypyridine-3-carboxylate (PubChem CID 133492515) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl 6-[(2-hydroxy-1-methylcyclohexyl)methylamino]-2-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-hydroxy-1-methylcyclohexyl)methylamino]-2-methoxypyridine-3-carboxylate
PubChem CID133492515
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Namemethyl 6-[(2-hydroxy-1-methylcyclohexyl)methylamino]-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC2(C)CCCCC2O)nc1OC
InChIInChI=1S/C16H24N2O4/c1-16(9-5-4-6-12(16)19)10-17-13-8-7-11(15(20)22-3)14(18-13)21-2/h7-8,12,19H,4-6,9-10H2,1-3H3,(H,17,18)
InChIKeyLTQVUQHPFGATSK-UHFFFAOYSA-N
XLogP2.23
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-hydroxy-1-methylcyclohexyl)methylamino]-2-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 6-[(2-hydroxy-1-methylcyclohexyl)methylamino]-2-methoxypyridine-3-carboxylate (CID 133492515) is methyl 6-[(2-hydroxy-1-methylcyclohexyl)methylamino]-2-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2-hydroxy-1-methylcyclohexyl)methylamino]-2-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(2-hydroxy-1-methylcyclohexyl)methylamino]-2-methoxypyridine-3-carboxylate is COC(=O)c1ccc(NCC2(C)CCCCC2O)nc1OC.
What is the InChIKey of methyl 6-[(2-hydroxy-1-methylcyclohexyl)methylamino]-2-methoxypyridine-3-carboxylate?
The InChIKey is LTQVUQHPFGATSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-16(9-5-4-6-12(16)19)10-17-13-8-7-11(15(20)22-3)14(18-13)21-2/h7-8,12,19H,4-6,9-10H2,1-3H3,(H,17,18).
What are the key properties of methyl 6-[(2-hydroxy-1-methylcyclohexyl)methylamino]-2-methoxypyridine-3-carboxylate?
methyl 6-[(2-hydroxy-1-methylcyclohexyl)methylamino]-2-methoxypyridine-3-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-hydroxy-1-methylcyclohexyl)methylamino]-2-methoxypyridine-3-carboxylate is sourced from PubChem (CID 133492515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).