2-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid

C15H18N4O3 — CID 90407516

IUPAC2-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCN1CCOC(Cn2cnc(-c3cc(C(=O)O)ccn3)c2)C1
InChIInChI=1S/C15H18N4O3/c1-18-4-5-22-12(7-18)8-19-9-14(17-10-19)13-6-11(15(20)21)2-3-16-13/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,20,21)
InChIKeyXVIKJBZPEYLLFN-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.97
Rot. Bonds4

About 2-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407516) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407516
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCN1CCOC(Cn2cnc(-c3cc(C(=O)O)ccn3)c2)C1
InChIInChI=1S/C15H18N4O3/c1-18-4-5-22-12(7-18)8-19-9-14(17-10-19)13-6-11(15(20)21)2-3-16-13/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,20,21)
InChIKeyXVIKJBZPEYLLFN-UHFFFAOYSA-N
XLogP0.97
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407516) is 2-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid is CN1CCOC(Cn2cnc(-c3cc(C(=O)O)ccn3)c2)C1.
What is the InChIKey of 2-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is XVIKJBZPEYLLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-18-4-5-22-12(7-18)8-19-9-14(17-10-19)13-6-11(15(20)21)2-3-16-13/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,20,21).
What are the key properties of 2-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).