(2R,3S)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride

C18H30Cl2N4O3 — CID 120938951

IUPAC(2R,3S)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESCC1CN(c2ccc(CNC(=O)[C@H]3NCCO[C@@H]3C)cn2)CC(C)O1.Cl.Cl
InChIInChI=1S/C18H28N4O3.2ClH/c1-12-10-22(11-13(2)25-12)16-5-4-15(8-20-16)9-21-18(23)17-14(3)24-7-6-19-17;;/h4-5,8,12-14,17,19H,6-7,9-11H2,1-3H3,(H,21,23);2*1H/t12?,13?,14-,17+;;/m1../s1
InChIKeyTVVJXYKRTRUJLI-VVNDAFDJSA-N
MW421.37 g/mol
LogP1.53
Rot. Bonds4

About (2R,3S)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride

(2R,3S)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride (PubChem CID 120938951) has the molecular formula C18H30Cl2N4O3 and a molecular weight of 421.37 g/mol. Its IUPAC name is (2R,3S)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
PubChem CID120938951
Molecular FormulaC18H30Cl2N4O3
Molecular Weight421.37 g/mol
Exact Mass420.17
IUPAC Name(2R,3S)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESCC1CN(c2ccc(CNC(=O)[C@H]3NCCO[C@@H]3C)cn2)CC(C)O1.Cl.Cl
InChIInChI=1S/C18H28N4O3.2ClH/c1-12-10-22(11-13(2)25-12)16-5-4-15(8-20-16)9-21-18(23)17-14(3)24-7-6-19-17;;/h4-5,8,12-14,17,19H,6-7,9-11H2,1-3H3,(H,21,23);2*1H/t12?,13?,14-,17+;;/m1../s1
InChIKeyTVVJXYKRTRUJLI-VVNDAFDJSA-N
XLogP1.53
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,3S)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

(2R,3S)-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938955
(2R,3S)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120938886
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46476743
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 112827403
(2S,4S)-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120633132
1-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 100853715
(2S)-2-amino-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119846441
2-(cyclopropylmethylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
CID 119846444
(2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide
CID 120931676
(2R,3S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120939080
4-tert-butyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710371
1-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-N-methylmethanamine
CID 104959494

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The IUPAC name of (2R,3S)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride (CID 120938951) is (2R,3S)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (2R,3S)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for (2R,3S)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride is CC1CN(c2ccc(CNC(=O)[C@H]3NCCO[C@@H]3C)cn2)CC(C)O1.Cl.Cl.
What is the InChIKey of (2R,3S)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The InChIKey is TVVJXYKRTRUJLI-VVNDAFDJSA-N. The full InChI is InChI=1S/C18H28N4O3.2ClH/c1-12-10-22(11-13(2)25-12)16-5-4-15(8-20-16)9-21-18(23)17-14(3)24-7-6-19-17;;/h4-5,8,12-14,17,19H,6-7,9-11H2,1-3H3,(H,21,23);2*1H/t12?,13?,14-,17+;;/m1../s1.
What are the key properties of (2R,3S)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
(2R,3S)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride has a molecular weight of 421.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120938951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).