ethane;methyl 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate;[6-(morpholin-4-ylmethyl)-3-pyridinyl]methanol

C25H38N4O5 — CID 145256632

IUPACethane;methyl 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate;[6-(morpholin-4-ylmethyl)-3-pyridinyl]methanol
SMILESCC.COC(=O)c1ccc(CN2CCOCC2)nc1.OCc1ccc(CN2CCOCC2)nc1
InChIInChI=1S/C12H16N2O3.C11H16N2O2.C2H6/c1-16-12(15)10-2-3-11(13-8-10)9-14-4-6-17-7-5-14;14-9-10-1-2-11(12-7-10)8-13-3-5-15-6-4-13;1-2/h2-3,8H,4-7,9H2,1H3;1-2,7,14H,3-6,8-9H2;1-2H3
InChIKeyFWATUEQHLSTUMO-UHFFFAOYSA-N
MW474.60 g/mol
LogP2.13
Rot. Bonds6

About ethane;methyl 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate;[6-(morpholin-4-ylmethyl)-3-pyridinyl]methanol

ethane;methyl 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate;[6-(morpholin-4-ylmethyl)-3-pyridinyl]methanol (PubChem CID 145256632) has the molecular formula C25H38N4O5 and a molecular weight of 474.60 g/mol. Its IUPAC name is ethane;methyl 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate;[6-(morpholin-4-ylmethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Nameethane;methyl 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate;[6-(morpholin-4-ylmethyl)-3-pyridinyl]methanol
PubChem CID145256632
Molecular FormulaC25H38N4O5
Molecular Weight474.60 g/mol
Exact Mass474.28
IUPAC Nameethane;methyl 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate;[6-(morpholin-4-ylmethyl)-3-pyridinyl]methanol
SMILESCC.COC(=O)c1ccc(CN2CCOCC2)nc1.OCc1ccc(CN2CCOCC2)nc1
InChIInChI=1S/C12H16N2O3.C11H16N2O2.C2H6/c1-16-12(15)10-2-3-11(13-8-10)9-14-4-6-17-7-5-14;14-9-10-1-2-11(12-7-10)8-13-3-5-15-6-4-13;1-2/h2-3,8H,4-7,9H2,1H3;1-2,7,14H,3-6,8-9H2;1-2H3
InChIKeyFWATUEQHLSTUMO-UHFFFAOYSA-N
XLogP2.13
TPSA97.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethane;methyl 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate;[6-(morpholin-4-ylmethyl)-3-pyridinyl]methanol with MolForge

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Launch Full Analysis

Related Compounds

6-Hydroxymethyl-nicotinic acid methyl ester
CID 789414
5-(Ethoxycarbonyl)pyridine-2-carboxylic acid
CID 592087
Methyl 6-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate
CID 24791265
Diethyl [2,2'-Bipyridine]-5,5'-dicarboxylate
CID 12227215
Dimethyl 2,2'-Bipyridine-5,5'-dicarboxylate
CID 12970938
3-Pyridinecarboxylic acid, (trimethylpyrazinyl)methyl ester
CID 10264430
Nicotinic acid, 2-(4-methyl-1-piperazinyl)ethyl ester, dimaleate
CID 6434550
3-Pyridinecarboxylic acid, 2-(butyl(3-pyridinylcarbonyl)amino)ethyl ester, hemihydrate
CID 16721171
Tert-butyl 6-(hydroxymethyl)pyridine-3-carboxylate
CID 21287980
Methyl 6-({3-[4-(4-fluorophenyl)-1-piperazinyl]-1-piperidinyl}carbonyl)nicotinate
CID 24816895
7-(oxolan-3-yl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 118745644
6-(5-Ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylic acid
CID 13722545

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate;[6-(morpholin-4-ylmethyl)-3-pyridinyl]methanol?
The IUPAC name of ethane;methyl 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate;[6-(morpholin-4-ylmethyl)-3-pyridinyl]methanol (CID 145256632) is ethane;methyl 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate;[6-(morpholin-4-ylmethyl)-3-pyridinyl]methanol.
What is the SMILES notation for ethane;methyl 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate;[6-(morpholin-4-ylmethyl)-3-pyridinyl]methanol?
The canonical SMILES for ethane;methyl 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate;[6-(morpholin-4-ylmethyl)-3-pyridinyl]methanol is CC.COC(=O)c1ccc(CN2CCOCC2)nc1.OCc1ccc(CN2CCOCC2)nc1.
What is the InChIKey of ethane;methyl 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate;[6-(morpholin-4-ylmethyl)-3-pyridinyl]methanol?
The InChIKey is FWATUEQHLSTUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3.C11H16N2O2.C2H6/c1-16-12(15)10-2-3-11(13-8-10)9-14-4-6-17-7-5-14;14-9-10-1-2-11(12-7-10)8-13-3-5-15-6-4-13;1-2/h2-3,8H,4-7,9H2,1H3;1-2,7,14H,3-6,8-9H2;1-2H3.
What are the key properties of ethane;methyl 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate;[6-(morpholin-4-ylmethyl)-3-pyridinyl]methanol?
ethane;methyl 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate;[6-(morpholin-4-ylmethyl)-3-pyridinyl]methanol has a molecular weight of 474.60 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate;[6-(morpholin-4-ylmethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 145256632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).