6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid

C21H20N2O3S — CID 134714748

IUPAC6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)c(N3CCOC(c4ccccc4)C3)n2)s1
InChIInChI=1S/C21H20N2O3S/c1-14-7-10-19(27-14)17-9-8-16(21(24)25)20(22-17)23-11-12-26-18(13-23)15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,24,25)
InChIKeyXTTKQINZFZSOPI-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.39
Rot. Bonds4

About 6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid

6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid (PubChem CID 134714748) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid
PubChem CID134714748
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)c(N3CCOC(c4ccccc4)C3)n2)s1
InChIInChI=1S/C21H20N2O3S/c1-14-7-10-19(27-14)17-9-8-16(21(24)25)20(22-17)23-11-12-26-18(13-23)15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,24,25)
InChIKeyXTTKQINZFZSOPI-UHFFFAOYSA-N
XLogP4.39
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid
CID 97148782
ethyl 2-[(2R)-2-phenylmorpholin-4-yl]pyridine-3-carboxylate
CID 94179717
2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid
CID 116533656
(2R)-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 25281404
7-ethyl-2-(2-phenylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 87013710
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 35270139
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-phenylmorpholin-4-yl)methanone
CID 52996803
2-[2-(4-chlorophenyl)morpholin-4-yl]quinoline-4-carboxylic acid
CID 56875818
(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 97264285
6-(1-benzothiophen-2-yl)-2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 125165810
(2R)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-2-phenylmorpholine
CID 95138636
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid (CID 134714748) is 6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid is Cc1ccc(-c2ccc(C(=O)O)c(N3CCOC(c4ccccc4)C3)n2)s1.
What is the InChIKey of 6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid?
The InChIKey is XTTKQINZFZSOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-14-7-10-19(27-14)17-9-8-16(21(24)25)20(22-17)23-11-12-26-18(13-23)15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,24,25).
What are the key properties of 6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid?
6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid has a molecular weight of 380.47 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 134714748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).