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

C24H22Cl2N2O3 — CID 57395092

IUPACethyl 4-(3,4-dichlorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)nc1N1CCOCC1
InChIInChI=1S/C24H22Cl2N2O3/c1-2-31-24(29)22-18(17-8-9-19(25)20(26)14-17)15-21(16-6-4-3-5-7-16)27-23(22)28-10-12-30-13-11-28/h3-9,14-15H,2,10-13H2,1H3
InChIKeyVYCUNYXMVHPBNR-UHFFFAOYSA-N
MW457.36 g/mol
LogP5.74
Rot. Bonds5

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

ethyl 4-(3,4-dichlorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate (PubChem CID 57395092) has the molecular formula C24H22Cl2N2O3 and a molecular weight of 457.36 g/mol. Its IUPAC name is ethyl 4-(3,4-dichlorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,4-dichlorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate
PubChem CID57395092
Molecular FormulaC24H22Cl2N2O3
Molecular Weight457.36 g/mol
Exact Mass456.10
IUPAC Nameethyl 4-(3,4-dichlorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)nc1N1CCOCC1
InChIInChI=1S/C24H22Cl2N2O3/c1-2-31-24(29)22-18(17-8-9-19(25)20(26)14-17)15-21(16-6-4-3-5-7-16)27-23(22)28-10-12-30-13-11-28/h3-9,14-15H,2,10-13H2,1H3
InChIKeyVYCUNYXMVHPBNR-UHFFFAOYSA-N
XLogP5.74
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4-dichlorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-(3,4-dichlorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate (CID 57395092) is ethyl 4-(3,4-dichlorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(3,4-dichlorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(3,4-dichlorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)nc1N1CCOCC1.
What is the InChIKey of ethyl 4-(3,4-dichlorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate?
The InChIKey is VYCUNYXMVHPBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O3/c1-2-31-24(29)22-18(17-8-9-19(25)20(26)14-17)15-21(16-6-4-3-5-7-16)27-23(22)28-10-12-30-13-11-28/h3-9,14-15H,2,10-13H2,1H3.
What are the key properties of ethyl 4-(3,4-dichlorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate?
ethyl 4-(3,4-dichlorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate has a molecular weight of 457.36 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,4-dichlorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 57395092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).