6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid

C18H20FN3O3 — CID 122052704

IUPAC6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCC(c2ccc(F)cc2)N2CCOCC2)n1
InChIInChI=1S/C18H20FN3O3/c19-14-6-4-13(5-7-14)16(22-8-10-25-11-9-22)12-20-17-3-1-2-15(21-17)18(23)24/h1-7,16H,8-12H2,(H,20,21)(H,23,24)
InChIKeyRBBTUVQSBPRCDW-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.40
Rot. Bonds6

About 6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid

6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid (PubChem CID 122052704) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid
PubChem CID122052704
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCC(c2ccc(F)cc2)N2CCOCC2)n1
InChIInChI=1S/C18H20FN3O3/c19-14-6-4-13(5-7-14)16(22-8-10-25-11-9-22)12-20-17-3-1-2-15(21-17)18(23)24/h1-7,16H,8-12H2,(H,20,21)(H,23,24)
InChIKeyRBBTUVQSBPRCDW-UHFFFAOYSA-N
XLogP2.40
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid with MolForge

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Related Compounds

5,6,7,8-Tetrahydro-1,8-naphthyridine-2-carboxylic acid
CID 51358533
US10513493, Example 20
CID 118301993
2-[(3-Fluorobenzoyl)amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 134394404
2-[(2-Fluorobenzoyl)amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 134394595
2-[(4-Fluorobenzoyl)amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 134394597
6-(Morpholin-4-yl)pyridine-2-carboxylic acid
CID 2388921
2-((4-Fluoro-2-methylphenylamino)methyl)-6-morpholinoisonicotinic acid
CID 44138128
Ethyl 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carboxylate
CID 44592173
2-[Methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 152011580
US10513493, Example 24
CID 118301996
US10513493, Example 26
CID 118302022
2-((4-Fluoro-2-methylphenylamino)methyl)-6-(piperazin-1-yl)isonicotinic acid
CID 44592218

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid (CID 122052704) is 6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NCC(c2ccc(F)cc2)N2CCOCC2)n1.
What is the InChIKey of 6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid?
The InChIKey is RBBTUVQSBPRCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-14-6-4-13(5-7-14)16(22-8-10-25-11-9-22)12-20-17-3-1-2-15(21-17)18(23)24/h1-7,16H,8-12H2,(H,20,21)(H,23,24).
What are the key properties of 6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid?
6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid has a molecular weight of 345.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122052704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).