ethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate

C23H23N3O5 — CID 55677621

IUPACethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)nc1C
InChIInChI=1S/C23H23N3O5/c1-5-30-23(28)17-8-9-18(25-15(17)3)22(27)26-16-7-11-21(24-13-16)31-19-10-6-14(2)12-20(19)29-4/h6-13H,5H2,1-4H3,(H,26,27)
InChIKeyGXTMNLITOZCNDY-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.32
Rot. Bonds7

About ethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate

ethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate (PubChem CID 55677621) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is ethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate
PubChem CID55677621
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Nameethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)nc1C
InChIInChI=1S/C23H23N3O5/c1-5-30-23(28)17-8-9-18(25-15(17)3)22(27)26-16-7-11-21(24-13-16)31-19-10-6-14(2)12-20(19)29-4/h6-13H,5H2,1-4H3,(H,26,27)
InChIKeyGXTMNLITOZCNDY-UHFFFAOYSA-N
XLogP4.32
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate with MolForge

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Related Compounds

5-chloro-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]furan-2-carboxamide
CID 55675140
ethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55672143
1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea
CID 52627553
2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 55965315
ethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55631489
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea
CID 86994420
ethyl 6-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55889019
N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-4-methoxybenzamide
CID 42691206
2-(2,4-dimethylquinolin-3-yl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
CID 36551375
ethyl 6-[(2-ethoxycarbonyl-1-benzothiophen-5-yl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55632477
4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide
CID 55675161
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 167970581

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate (CID 55677621) is ethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)nc1C.
What is the InChIKey of ethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate?
The InChIKey is GXTMNLITOZCNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-5-30-23(28)17-8-9-18(25-15(17)3)22(27)26-16-7-11-21(24-13-16)31-19-10-6-14(2)12-20(19)29-4/h6-13H,5H2,1-4H3,(H,26,27).
What are the key properties of ethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate?
ethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate has a molecular weight of 421.45 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 55677621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).