1-ethyl-4-(4-imidazol-1-ylphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid;morpholine

C24H30N4O5 — CID 18956985

IUPAC1-ethyl-4-(4-imidazol-1-ylphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid;morpholine
SMILESC1COCCN1.CCN1C(C)=C(C(=O)O)C(c2ccc(-n3ccnc3)cc2)C(C(=O)O)=C1C
InChIInChI=1S/C20H21N3O4.C4H9NO/c1-4-23-12(2)16(19(24)25)18(17(13(23)3)20(26)27)14-5-7-15(8-6-14)22-10-9-21-11-22;1-3-6-4-2-5-1/h5-11,18H,4H2,1-3H3,(H,24,25)(H,26,27);5H,1-4H2
InChIKeyOBOXIBLVZCHPAK-UHFFFAOYSA-N
MW454.53 g/mol
LogP2.61
Rot. Bonds5

About 1-ethyl-4-(4-imidazol-1-ylphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid;morpholine

1-ethyl-4-(4-imidazol-1-ylphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid;morpholine (PubChem CID 18956985) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is 1-ethyl-4-(4-imidazol-1-ylphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid;morpholine.

Molecular Properties

Compound Name1-ethyl-4-(4-imidazol-1-ylphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid;morpholine
PubChem CID18956985
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC Name1-ethyl-4-(4-imidazol-1-ylphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid;morpholine
SMILESC1COCCN1.CCN1C(C)=C(C(=O)O)C(c2ccc(-n3ccnc3)cc2)C(C(=O)O)=C1C
InChIInChI=1S/C20H21N3O4.C4H9NO/c1-4-23-12(2)16(19(24)25)18(17(13(23)3)20(26)27)14-5-7-15(8-6-14)22-10-9-21-11-22;1-3-6-4-2-5-1/h5-11,18H,4H2,1-3H3,(H,24,25)(H,26,27);5H,1-4H2
InChIKeyOBOXIBLVZCHPAK-UHFFFAOYSA-N
XLogP2.61
TPSA116.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-4-(4-imidazol-1-ylphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid;morpholine with MolForge

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Related Compounds

ethyl 6-(4-imidazol-1-ylphenyl)-4-methyl-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 24615315
4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid
CID 18956972
(2S)-2-(4-imidazol-1-ylphenyl)piperazine
CID 174526627
ethyl (6S)-3-cyclopropyl-6-(4-imidazol-1-ylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 51646324
(E)-4-(4-imidazol-1-ylphenyl)but-3-enoic acid
CID 15045263
5-ethoxycarbonyl-4-(3-imidazol-1-ylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid;hydrate
CID 139615122
5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117396339
N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide
CID 56822078
4-imidazol-1-yl-N-piperidin-4-ylbenzamide
CID 14664369
3-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 4961802
(2S,4S)-4-amino-N-ethyl-1-(4-imidazol-1-ylbenzoyl)pyrrolidine-2-carboxamide
CID 56719002
ethyl 2-(4-imidazol-1-ylanilino)-2-oxoacetate
CID 19438777

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-imidazol-1-ylphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid;morpholine?
The IUPAC name of 1-ethyl-4-(4-imidazol-1-ylphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid;morpholine (CID 18956985) is 1-ethyl-4-(4-imidazol-1-ylphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid;morpholine.
What is the SMILES notation for 1-ethyl-4-(4-imidazol-1-ylphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid;morpholine?
The canonical SMILES for 1-ethyl-4-(4-imidazol-1-ylphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid;morpholine is C1COCCN1.CCN1C(C)=C(C(=O)O)C(c2ccc(-n3ccnc3)cc2)C(C(=O)O)=C1C.
What is the InChIKey of 1-ethyl-4-(4-imidazol-1-ylphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid;morpholine?
The InChIKey is OBOXIBLVZCHPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4.C4H9NO/c1-4-23-12(2)16(19(24)25)18(17(13(23)3)20(26)27)14-5-7-15(8-6-14)22-10-9-21-11-22;1-3-6-4-2-5-1/h5-11,18H,4H2,1-3H3,(H,24,25)(H,26,27);5H,1-4H2.
What are the key properties of 1-ethyl-4-(4-imidazol-1-ylphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid;morpholine?
1-ethyl-4-(4-imidazol-1-ylphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid;morpholine has a molecular weight of 454.53 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-imidazol-1-ylphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid;morpholine is sourced from PubChem (CID 18956985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).