2-[4-[5-[(4-methylphenyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-4-carboxylic acid

C23H23N3O4 — CID 167542361

IUPAC2-[4-[5-[(4-methylphenyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(COc2cncc(N3CCOC(c4cc(C(=O)O)ccn4)C3)c2)cc1
InChIInChI=1S/C23H23N3O4/c1-16-2-4-17(5-3-16)15-30-20-11-19(12-24-13-20)26-8-9-29-22(14-26)21-10-18(23(27)28)6-7-25-21/h2-7,10-13,22H,8-9,14-15H2,1H3,(H,27,28)
InChIKeyBJAWKEMYUOCIFJ-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.64
Rot. Bonds6

About 2-[4-[5-[(4-methylphenyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-4-carboxylic acid

2-[4-[5-[(4-methylphenyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-4-carboxylic acid (PubChem CID 167542361) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 2-[4-[5-[(4-methylphenyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-[5-[(4-methylphenyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-4-carboxylic acid
PubChem CID167542361
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name2-[4-[5-[(4-methylphenyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(COc2cncc(N3CCOC(c4cc(C(=O)O)ccn4)C3)c2)cc1
InChIInChI=1S/C23H23N3O4/c1-16-2-4-17(5-3-16)15-30-20-11-19(12-24-13-20)26-8-9-29-22(14-26)21-10-18(23(27)28)6-7-25-21/h2-7,10-13,22H,8-9,14-15H2,1H3,(H,27,28)
InChIKeyBJAWKEMYUOCIFJ-UHFFFAOYSA-N
XLogP3.64
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholine-2-carboxylic acid
CID 175625254
3-[(2S)-4-[5-[(4-chlorophenyl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid;sulfane
CID 167674957
3-methyl-6-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-2-carboxylic acid
CID 167688820
(E)-4-[4-[5-[(4-methylphenyl)methoxy]-3-pyridinyl]morpholin-3-yl]but-2-enoic acid
CID 167626776
methane;bis((E)-4-[4-[5-[(4-methylphenyl)methoxy]-3-pyridinyl]morpholin-3-yl]but-2-enoic acid)
CID 167691215
3-[2-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032919
2-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid
CID 175624835
ethyl 2-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylate
CID 167615166
(2R)-2-pyridin-2-yl-4-pyridin-3-ylmorpholine
CID 125015690
(E)-4-[(3R)-4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholin-3-yl]but-2-enoic acid
CID 151937619
(3aS,6aS)-1-(5-phenylmethoxy-3-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid
CID 68695924
trans-(1S,2S)-2-[3-methoxy-6-[5-[(4-methylphenyl)methoxy]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylic acid
CID 167627764

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[(4-methylphenyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[4-[5-[(4-methylphenyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-4-carboxylic acid (CID 167542361) is 2-[4-[5-[(4-methylphenyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[4-[5-[(4-methylphenyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[4-[5-[(4-methylphenyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-4-carboxylic acid is Cc1ccc(COc2cncc(N3CCOC(c4cc(C(=O)O)ccn4)C3)c2)cc1.
What is the InChIKey of 2-[4-[5-[(4-methylphenyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-4-carboxylic acid?
The InChIKey is BJAWKEMYUOCIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-16-2-4-17(5-3-16)15-30-20-11-19(12-24-13-20)26-8-9-29-22(14-26)21-10-18(23(27)28)6-7-25-21/h2-7,10-13,22H,8-9,14-15H2,1H3,(H,27,28).
What are the key properties of 2-[4-[5-[(4-methylphenyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-4-carboxylic acid?
2-[4-[5-[(4-methylphenyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-4-carboxylic acid has a molecular weight of 405.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[(4-methylphenyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 167542361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).