[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

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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).