ethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate

C23H23N3O5 — CID 55672143

IUPACethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)nc1C
InChIInChI=1S/C23H23N3O5/c1-4-30-23(28)18-8-9-19(25-15(18)2)22(27)26-17-7-10-20(29-3)21(12-17)31-14-16-6-5-11-24-13-16/h5-13H,4,14H2,1-3H3,(H,26,27)
InChIKeyXJGLIQHGEVLJPQ-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.80
Rot. Bonds8

About ethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate

ethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate (PubChem CID 55672143) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is ethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
PubChem CID55672143
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Nameethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)nc1C
InChIInChI=1S/C23H23N3O5/c1-4-30-23(28)18-8-9-19(25-15(18)2)22(27)26-17-7-10-20(29-3)21(12-17)31-14-16-6-5-11-24-13-16/h5-13H,4,14H2,1-3H3,(H,26,27)
InChIKeyXJGLIQHGEVLJPQ-UHFFFAOYSA-N
XLogP3.80
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate with MolForge

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Related Compounds

3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43069771
ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate
CID 91682546
2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 55643410
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide
CID 42958626
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43069822
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55643516
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38627115
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 43069775
ethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55677621
3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide
CID 43069846
4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide
CID 120595348

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate (CID 55672143) is ethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)nc1C.
What is the InChIKey of ethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate?
The InChIKey is XJGLIQHGEVLJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-4-30-23(28)18-8-9-19(25-15(18)2)22(27)26-17-7-10-20(29-3)21(12-17)31-14-16-6-5-11-24-13-16/h5-13H,4,14H2,1-3H3,(H,26,27).
What are the key properties of ethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate?
ethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate has a molecular weight of 421.45 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 55672143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).