6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid

C19H23N3O3 — CID 122047741

IUPAC6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid
SMILESCc1cccc(C(CNc2cccc(C(=O)O)n2)N2CCOCC2)c1
InChIInChI=1S/C19H23N3O3/c1-14-4-2-5-15(12-14)17(22-8-10-25-11-9-22)13-20-18-7-3-6-16(21-18)19(23)24/h2-7,12,17H,8-11,13H2,1H3,(H,20,21)(H,23,24)
InChIKeyCMQYTHLSPUVUKV-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.57
Rot. Bonds6

About 6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid

6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid (PubChem CID 122047741) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid
PubChem CID122047741
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid
SMILESCc1cccc(C(CNc2cccc(C(=O)O)n2)N2CCOCC2)c1
InChIInChI=1S/C19H23N3O3/c1-14-4-2-5-15(12-14)17(22-8-10-25-11-9-22)13-20-18-7-3-6-16(21-18)19(23)24/h2-7,12,17H,8-11,13H2,1H3,(H,20,21)(H,23,24)
InChIKeyCMQYTHLSPUVUKV-UHFFFAOYSA-N
XLogP2.57
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 36835462
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 154856473
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55659916
3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide
CID 39226854
3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119849677
1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 110304148
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide
CID 110623787
4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile
CID 78871346
2-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112506492
3-(furan-2-yl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 110304126
4-acetyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 55682159

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid (CID 122047741) is 6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid is Cc1cccc(C(CNc2cccc(C(=O)O)n2)N2CCOCC2)c1.
What is the InChIKey of 6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid?
The InChIKey is CMQYTHLSPUVUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-4-2-5-15(12-14)17(22-8-10-25-11-9-22)13-20-18-7-3-6-16(21-18)19(23)24/h2-7,12,17H,8-11,13H2,1H3,(H,20,21)(H,23,24).
What are the key properties of 6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid?
6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122047741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).