ethyl 4-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate

C25H26N2O3 — CID 25110892

IUPACethyl 4-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)cc2)cc(-c2ccccc2)nc1N1CCOCC1
InChIInChI=1S/C25H26N2O3/c1-3-30-25(28)23-21(19-11-9-18(2)10-12-19)17-22(20-7-5-4-6-8-20)26-24(23)27-13-15-29-16-14-27/h4-12,17H,3,13-16H2,1-2H3
InChIKeyYEYHRSFDDXMFJI-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.74
Rot. Bonds5

About ethyl 4-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate

ethyl 4-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate (PubChem CID 25110892) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is ethyl 4-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate
PubChem CID25110892
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Nameethyl 4-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)cc2)cc(-c2ccccc2)nc1N1CCOCC1
InChIInChI=1S/C25H26N2O3/c1-3-30-25(28)23-21(19-11-9-18(2)10-12-19)17-22(20-7-5-4-6-8-20)26-24(23)27-13-15-29-16-14-27/h4-12,17H,3,13-16H2,1-2H3
InChIKeyYEYHRSFDDXMFJI-UHFFFAOYSA-N
XLogP4.74
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate (CID 25110892) is ethyl 4-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(C)cc2)cc(-c2ccccc2)nc1N1CCOCC1.
What is the InChIKey of ethyl 4-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate?
The InChIKey is YEYHRSFDDXMFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-30-25(28)23-21(19-11-9-18(2)10-12-19)17-22(20-7-5-4-6-8-20)26-24(23)27-13-15-29-16-14-27/h4-12,17H,3,13-16H2,1-2H3.
What are the key properties of ethyl 4-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate?
ethyl 4-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate has a molecular weight of 402.49 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 25110892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).