N-(2-chloro-3-pyridinyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide

C13H19ClN3O2+ — CID 8520047

IUPACN-(2-chloro-3-pyridinyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
SMILESC[C@@H]1C[NH+](CC(=O)Nc2cccnc2Cl)C[C@H](C)O1
InChIInChI=1S/C13H18ClN3O2/c1-9-6-17(7-10(2)19-9)8-12(18)16-11-4-3-5-15-13(11)14/h3-5,9-10H,6-8H2,1-2H3,(H,16,18)/p+1/t9-,10+
InChIKeyPNZOLZHZYQWAIU-AOOOYVTPSA-O
MW284.77 g/mol
LogP0.37
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide

N-(2-chloro-3-pyridinyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide (PubChem CID 8520047) has the molecular formula C13H19ClN3O2+ and a molecular weight of 284.77 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
PubChem CID8520047
Molecular FormulaC13H19ClN3O2+
Molecular Weight284.77 g/mol
Exact Mass284.12
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
SMILESC[C@@H]1C[NH+](CC(=O)Nc2cccnc2Cl)C[C@H](C)O1
InChIInChI=1S/C13H18ClN3O2/c1-9-6-17(7-10(2)19-9)8-12(18)16-11-4-3-5-15-13(11)14/h3-5,9-10H,6-8H2,1-2H3,(H,16,18)/p+1/t9-,10+
InChIKeyPNZOLZHZYQWAIU-AOOOYVTPSA-O
XLogP0.37
TPSA55.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-piperidin-1-ium-1-ylacetamide
CID 7784525
methyl 1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8555347
N-(2-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2508609
N-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2474971
ethyl 2-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]benzoate
CID 8899937
2-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 8899231
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
N-(2-chloro-3-pyridinyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2460298
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
N-(2-chloro-3-pyridinyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2382084
4-[(2-chloro-3-pyridinyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302439
N-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide
CID 54910721

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide (CID 8520047) is N-(2-chloro-3-pyridinyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide is C[C@@H]1C[NH+](CC(=O)Nc2cccnc2Cl)C[C@H](C)O1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
The InChIKey is PNZOLZHZYQWAIU-AOOOYVTPSA-O. The full InChI is InChI=1S/C13H18ClN3O2/c1-9-6-17(7-10(2)19-9)8-12(18)16-11-4-3-5-15-13(11)14/h3-5,9-10H,6-8H2,1-2H3,(H,16,18)/p+1/t9-,10+.
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
N-(2-chloro-3-pyridinyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide has a molecular weight of 284.77 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide is sourced from PubChem (CID 8520047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).