[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

C15H19N3O2 — CID 104959900

IUPAC[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(C#CCN)cn2)C[C@H](C)O1
InChIInChI=1S/C15H19N3O2/c1-11-9-18(10-12(2)20-11)15(19)14-6-5-13(8-17-14)4-3-7-16/h5-6,8,11-12H,7,9-10,16H2,1-2H3/t11-,12+
InChIKeyUFFFDEKRRNHWSP-TXEJJXNPSA-N
MW273.34 g/mol
LogP0.64
Rot. Bonds1

About [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 104959900) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID104959900
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(C#CCN)cn2)C[C@H](C)O1
InChIInChI=1S/C15H19N3O2/c1-11-9-18(10-12(2)20-11)15(19)14-6-5-13(8-17-14)4-3-7-16/h5-6,8,11-12H,7,9-10,16H2,1-2H3/t11-,12+
InChIKeyUFFFDEKRRNHWSP-TXEJJXNPSA-N
XLogP0.64
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62954356
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 63625309
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 62960500
[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104959899
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone
CID 62954015
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107458089
[5-(4-hydroxybut-1-ynyl)-2-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680682
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 79036597
3-[6-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 76978653
methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate
CID 31703991
[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104959905
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 63655157

Frequently Asked Questions

What is the IUPAC name of [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 104959900) is [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2ccc(C#CCN)cn2)C[C@H](C)O1.
What is the InChIKey of [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is UFFFDEKRRNHWSP-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-9-18(10-12(2)20-11)15(19)14-6-5-13(8-17-14)4-3-7-16/h5-6,8,11-12H,7,9-10,16H2,1-2H3/t11-,12+.
What are the key properties of [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 273.34 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 104959900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).