2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid

C26H24N2O3 — CID 91341400

IUPAC2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)n1
InChIInChI=1S/C26H24N2O3/c1-19-16-24(26(29)30)17-25(27-19)23-10-8-21(9-11-23)3-2-20-4-6-22(7-5-20)18-28-12-14-31-15-13-28/h4-11,16-17H,12-15,18H2,1H3,(H,29,30)
InChIKeyDBYRVMSLYDZFQR-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.99
Rot. Bonds4

About 2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid

2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid (PubChem CID 91341400) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid
PubChem CID91341400
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)n1
InChIInChI=1S/C26H24N2O3/c1-19-16-24(26(29)30)17-25(27-19)23-10-8-21(9-11-23)3-2-20-4-6-22(7-5-20)18-28-12-14-31-15-13-28/h4-11,16-17H,12-15,18H2,1H3,(H,29,30)
InChIKeyDBYRVMSLYDZFQR-UHFFFAOYSA-N
XLogP3.99
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylate
CID 68758496
2-amino-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxylic acid
CID 68760205
2-acetamido-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide
CID 87562236
4-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]morpholine
CID 123803734
N-hydroxy-2-(2-methoxyethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide
CID 87562845
N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide
CID 87562789
N-hydroxy-2-(2-morpholin-4-ylethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide
CID 87563400
3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117463545
3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117465659
5-[2-fluoro-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-3-carboxylic acid
CID 68760008
2-(2-methoxyethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-N-(oxan-4-yloxy)pyrimidine-4-carboxamide
CID 87563406
N-hydroxy-2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide
CID 89034457

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid (CID 91341400) is 2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)n1.
What is the InChIKey of 2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid?
The InChIKey is DBYRVMSLYDZFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-19-16-24(26(29)30)17-25(27-19)23-10-8-21(9-11-23)3-2-20-4-6-22(7-5-20)18-28-12-14-31-15-13-28/h4-11,16-17H,12-15,18H2,1H3,(H,29,30).
What are the key properties of 2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid?
2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid has a molecular weight of 412.49 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 91341400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).