methyl 6-[[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]methyl]pyridine-3-carboxylate

C19H29N3O3 — CID 125421892

IUPACmethyl 6-[[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN(C)CC(=O)NCCC2CCCCC2)nc1
InChIInChI=1S/C19H29N3O3/c1-22(13-17-9-8-16(12-21-17)19(24)25-2)14-18(23)20-11-10-15-6-4-3-5-7-15/h8-9,12,15H,3-7,10-11,13-14H2,1-2H3,(H,20,23)
InChIKeyCEBLQXAQMDKOQX-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.39
Rot. Bonds8

About methyl 6-[[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]methyl]pyridine-3-carboxylate

methyl 6-[[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]methyl]pyridine-3-carboxylate (PubChem CID 125421892) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is methyl 6-[[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]methyl]pyridine-3-carboxylate
PubChem CID125421892
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Namemethyl 6-[[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN(C)CC(=O)NCCC2CCCCC2)nc1
InChIInChI=1S/C19H29N3O3/c1-22(13-17-9-8-16(12-21-17)19(24)25-2)14-18(23)20-11-10-15-6-4-3-5-7-15/h8-9,12,15H,3-7,10-11,13-14H2,1-2H3,(H,20,23)
InChIKeyCEBLQXAQMDKOQX-UHFFFAOYSA-N
XLogP2.39
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]methyl]pyridine-3-carboxylate (CID 125421892) is methyl 6-[[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CN(C)CC(=O)NCCC2CCCCC2)nc1.
What is the InChIKey of methyl 6-[[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]methyl]pyridine-3-carboxylate?
The InChIKey is CEBLQXAQMDKOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-22(13-17-9-8-16(12-21-17)19(24)25-2)14-18(23)20-11-10-15-6-4-3-5-7-15/h8-9,12,15H,3-7,10-11,13-14H2,1-2H3,(H,20,23).
What are the key properties of methyl 6-[[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]methyl]pyridine-3-carboxylate?
methyl 6-[[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]methyl]pyridine-3-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 125421892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).