ethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid

C13H20N2O3 — CID 170730921

IUPACethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid
SMILESCC.Cc1cc(C(=O)O)c(N2CCOCC2)cn1
InChIInChI=1S/C11H14N2O3.C2H6/c1-8-6-9(11(14)15)10(7-12-8)13-2-4-16-5-3-13;1-2/h6-7H,2-5H2,1H3,(H,14,15);1-2H3
InChIKeyRNMJYXHNFWZRSC-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.95
Rot. Bonds2

About ethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid

ethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid (PubChem CID 170730921) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Nameethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid
PubChem CID170730921
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid
SMILESCC.Cc1cc(C(=O)O)c(N2CCOCC2)cn1
InChIInChI=1S/C11H14N2O3.C2H6/c1-8-6-9(11(14)15)10(7-12-8)13-2-4-16-5-3-13;1-2/h6-7H,2-5H2,1H3,(H,14,15);1-2H3
InChIKeyRNMJYXHNFWZRSC-UHFFFAOYSA-N
XLogP1.95
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid?
The IUPAC name of ethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid (CID 170730921) is ethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid.
What is the SMILES notation for ethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid?
The canonical SMILES for ethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid is CC.Cc1cc(C(=O)O)c(N2CCOCC2)cn1.
What is the InChIKey of ethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid?
The InChIKey is RNMJYXHNFWZRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3.C2H6/c1-8-6-9(11(14)15)10(7-12-8)13-2-4-16-5-3-13;1-2/h6-7H,2-5H2,1H3,(H,14,15);1-2H3.
What are the key properties of ethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid?
ethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 170730921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).