6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]pyridine-3-carboximidamide

C12H18N4O — CID 51704360

IUPAC6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2C[C@@H](C)OC[C@H]2C)nc1
InChIInChI=1S/C12H18N4O/c1-8-7-17-9(2)6-16(8)11-4-3-10(5-15-11)12(13)14/h3-5,8-9H,6-7H2,1-2H3,(H3,13,14)/t8-,9-/m1/s1
InChIKeyNCNAAYVRRQGQAT-RKDXNWHRSA-N
MW234.30 g/mol
LogP0.98
Rot. Bonds2

About 6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]pyridine-3-carboximidamide

6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]pyridine-3-carboximidamide (PubChem CID 51704360) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]pyridine-3-carboximidamide
PubChem CID51704360
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2C[C@@H](C)OC[C@H]2C)nc1
InChIInChI=1S/C12H18N4O/c1-8-7-17-9(2)6-16(8)11-4-3-10(5-15-11)12(13)14/h3-5,8-9H,6-7H2,1-2H3,(H3,13,14)/t8-,9-/m1/s1
InChIKeyNCNAAYVRRQGQAT-RKDXNWHRSA-N
XLogP0.98
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]pyridine-3-carboximidamide?
The IUPAC name of 6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]pyridine-3-carboximidamide (CID 51704360) is 6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]pyridine-3-carboximidamide?
The canonical SMILES for 6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(N2C[C@@H](C)OC[C@H]2C)nc1.
What is the InChIKey of 6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]pyridine-3-carboximidamide?
The InChIKey is NCNAAYVRRQGQAT-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-7-17-9(2)6-16(8)11-4-3-10(5-15-11)12(13)14/h3-5,8-9H,6-7H2,1-2H3,(H3,13,14)/t8-,9-/m1/s1.
What are the key properties of 6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]pyridine-3-carboximidamide?
6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]pyridine-3-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]pyridine-3-carboximidamide is sourced from PubChem (CID 51704360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).