[4-(dimethylamino)-2-pyridinyl]-[(3S,5R)-3,5-dimethylmorpholin-4-yl]methanone

C14H21N3O2 — CID 99604346

IUPAC[4-(dimethylamino)-2-pyridinyl]-[(3S,5R)-3,5-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1COC[C@H](C)N1C(=O)c1cc(N(C)C)ccn1
InChIInChI=1S/C14H21N3O2/c1-10-8-19-9-11(2)17(10)14(18)13-7-12(16(3)4)5-6-15-13/h5-7,10-11H,8-9H2,1-4H3/t10-,11+
InChIKeyHMKIDFAYGUQXIP-PHIMTYICSA-N
MW263.34 g/mol
LogP1.40
Rot. Bonds2

About [4-(dimethylamino)-2-pyridinyl]-[(3S,5R)-3,5-dimethylmorpholin-4-yl]methanone

[4-(dimethylamino)-2-pyridinyl]-[(3S,5R)-3,5-dimethylmorpholin-4-yl]methanone (PubChem CID 99604346) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [4-(dimethylamino)-2-pyridinyl]-[(3S,5R)-3,5-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-2-pyridinyl]-[(3S,5R)-3,5-dimethylmorpholin-4-yl]methanone
PubChem CID99604346
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[4-(dimethylamino)-2-pyridinyl]-[(3S,5R)-3,5-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1COC[C@H](C)N1C(=O)c1cc(N(C)C)ccn1
InChIInChI=1S/C14H21N3O2/c1-10-8-19-9-11(2)17(10)14(18)13-7-12(16(3)4)5-6-15-13/h5-7,10-11H,8-9H2,1-4H3/t10-,11+
InChIKeyHMKIDFAYGUQXIP-PHIMTYICSA-N
XLogP1.40
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(dimethylamino)-2-pyridinyl]-[(3S,5R)-3,5-dimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

[4-(dimethylamino)-2-pyridinyl]-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone
CID 75511380
1-[4-(dimethylamino)-2-pyridinyl]ethanone
CID 58420853
(3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid
CID 122155565
(3,5-dimethylmorpholin-4-yl)-isoquinolin-1-ylmethanone
CID 71874429
[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-[4-(dimethylamino)-2-pyridinyl]methanone
CID 129346643
[4-(dimethylamino)-2-pyridinyl]-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 100653469
4-[(3R,5R)-3,5-dimethylmorpholine-4-carbonyl]benzoic acid
CID 118918329
4-[methyl(oxolan-3-yl)amino]pyridine-2-carboxylic acid
CID 82739701
[4-(dimethylamino)-2-pyridinyl]-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129381722
(4-chlorophenyl)-[4-(dimethylamino)-2-pyridinyl]methanone
CID 138968408
N-[1-[4-(dimethylamino)pyridine-2-carbonyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128970682
(3,5-dimethylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 110309886

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-2-pyridinyl]-[(3S,5R)-3,5-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [4-(dimethylamino)-2-pyridinyl]-[(3S,5R)-3,5-dimethylmorpholin-4-yl]methanone (CID 99604346) is [4-(dimethylamino)-2-pyridinyl]-[(3S,5R)-3,5-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)-2-pyridinyl]-[(3S,5R)-3,5-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [4-(dimethylamino)-2-pyridinyl]-[(3S,5R)-3,5-dimethylmorpholin-4-yl]methanone is C[C@@H]1COC[C@H](C)N1C(=O)c1cc(N(C)C)ccn1.
What is the InChIKey of [4-(dimethylamino)-2-pyridinyl]-[(3S,5R)-3,5-dimethylmorpholin-4-yl]methanone?
The InChIKey is HMKIDFAYGUQXIP-PHIMTYICSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-8-19-9-11(2)17(10)14(18)13-7-12(16(3)4)5-6-15-13/h5-7,10-11H,8-9H2,1-4H3/t10-,11+.
What are the key properties of [4-(dimethylamino)-2-pyridinyl]-[(3S,5R)-3,5-dimethylmorpholin-4-yl]methanone?
[4-(dimethylamino)-2-pyridinyl]-[(3S,5R)-3,5-dimethylmorpholin-4-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-2-pyridinyl]-[(3S,5R)-3,5-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 99604346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).