1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone

C19H25N3O2S — CID 110113577

IUPAC1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
SMILESCc1cc(N(C)C)cc(C2CN(C(=O)Cc3ccc(C)s3)CCO2)n1
InChIInChI=1S/C19H25N3O2S/c1-13-9-15(21(3)4)10-17(20-13)18-12-22(7-8-24-18)19(23)11-16-6-5-14(2)25-16/h5-6,9-10,18H,7-8,11-12H2,1-4H3
InChIKeyURFUUHAZYBINTL-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.97
Rot. Bonds4

About 1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone

1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone (PubChem CID 110113577) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
PubChem CID110113577
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
SMILESCc1cc(N(C)C)cc(C2CN(C(=O)Cc3ccc(C)s3)CCO2)n1
InChIInChI=1S/C19H25N3O2S/c1-13-9-15(21(3)4)10-17(20-13)18-12-22(7-8-24-18)19(23)11-16-6-5-14(2)25-16/h5-6,9-10,18H,7-8,11-12H2,1-4H3
InChIKeyURFUUHAZYBINTL-UHFFFAOYSA-N
XLogP2.97
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124981363
1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 110113531
1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 110112351
[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methylthiophen-2-yl)methanone
CID 124992366
1-[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 124995314
[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone
CID 125016784
[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 124981281
[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110113611
[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-fluorophenyl)methanone
CID 125027072
[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 124953671
[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 110113584
1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124990126

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone (CID 110113577) is 1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone is Cc1cc(N(C)C)cc(C2CN(C(=O)Cc3ccc(C)s3)CCO2)n1.
What is the InChIKey of 1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone?
The InChIKey is URFUUHAZYBINTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-13-9-15(21(3)4)10-17(20-13)18-12-22(7-8-24-18)19(23)11-16-6-5-14(2)25-16/h5-6,9-10,18H,7-8,11-12H2,1-4H3.
What are the key properties of 1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone?
1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone has a molecular weight of 359.50 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 110113577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).