[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone

C19H25N3O2S — CID 124950403

IUPAC[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCO[C@H](CCc3ccnc(N(C)C)c3)C2)c1
InChIInChI=1S/C19H25N3O2S/c1-14-10-17(25-13-14)19(23)22-8-9-24-16(12-22)5-4-15-6-7-20-18(11-15)21(2)3/h6-7,10-11,13,16H,4-5,8-9,12H2,1-3H3/t16-/m1/s1
InChIKeyDBOGVWXINJMZHN-MRXNPFEDSA-N
MW359.50 g/mol
LogP2.99
Rot. Bonds5

About [(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone

[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone (PubChem CID 124950403) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is [(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone
PubChem CID124950403
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCO[C@H](CCc3ccnc(N(C)C)c3)C2)c1
InChIInChI=1S/C19H25N3O2S/c1-14-10-17(25-13-14)19(23)22-8-9-24-16(12-22)5-4-15-6-7-20-18(11-15)21(2)3/h6-7,10-11,13,16H,4-5,8-9,12H2,1-3H3/t16-/m1/s1
InChIKeyDBOGVWXINJMZHN-MRXNPFEDSA-N
XLogP2.99
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 125009167
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 125000357
[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 110114030
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 125027294
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 125002202
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone
CID 124954150
[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110114065
2-cyclopropyl-1-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]ethanone
CID 124970546
4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid
CID 124992467
1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 110114059
1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 110119302
N,N-dimethyl-4-[2-[(2R)-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]ethyl]pyridin-2-amine
CID 124997675

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone?
The IUPAC name of [(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone (CID 124950403) is [(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone.
What is the SMILES notation for [(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone?
The canonical SMILES for [(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone is Cc1csc(C(=O)N2CCO[C@H](CCc3ccnc(N(C)C)c3)C2)c1.
What is the InChIKey of [(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone?
The InChIKey is DBOGVWXINJMZHN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14-10-17(25-13-14)19(23)22-8-9-24-16(12-22)5-4-15-6-7-20-18(11-15)21(2)3/h6-7,10-11,13,16H,4-5,8-9,12H2,1-3H3/t16-/m1/s1.
What are the key properties of [(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone?
[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone has a molecular weight of 359.50 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 124950403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).