methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate

C19H29N3O3 — CID 133421125

IUPACmethyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCN(C3CCCCC3O)CC2)nc1C
InChIInChI=1S/C19H29N3O3/c1-13-15(19(24)25-2)7-8-18(20-13)21-14-9-11-22(12-10-14)16-5-3-4-6-17(16)23/h7-8,14,16-17,23H,3-6,9-12H2,1-2H3,(H,20,21)
InChIKeyCVJSAKDXGRFWCI-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.36
Rot. Bonds4

About methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate

methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate (PubChem CID 133421125) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate
PubChem CID133421125
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Namemethyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCN(C3CCCCC3O)CC2)nc1C
InChIInChI=1S/C19H29N3O3/c1-13-15(19(24)25-2)7-8-18(20-13)21-14-9-11-22(12-10-14)16-5-3-4-6-17(16)23/h7-8,14,16-17,23H,3-6,9-12H2,1-2H3,(H,20,21)
InChIKeyCVJSAKDXGRFWCI-UHFFFAOYSA-N
XLogP2.36
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate (CID 133421125) is methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate is COC(=O)c1ccc(NC2CCN(C3CCCCC3O)CC2)nc1C.
What is the InChIKey of methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate?
The InChIKey is CVJSAKDXGRFWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13-15(19(24)25-2)7-8-18(20-13)21-14-9-11-22(12-10-14)16-5-3-4-6-17(16)23/h7-8,14,16-17,23H,3-6,9-12H2,1-2H3,(H,20,21).
What are the key properties of methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate?
methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 133421125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).