ethyl 6-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate

C22H27N3O6 — CID 55746045

IUPACethyl 6-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCNC(=O)COc1ccc(CNC(=O)c2ccc(C(=O)OCC)c(C)n2)cc1OC
InChIInChI=1S/C22H27N3O6/c1-5-23-20(26)13-31-18-10-7-15(11-19(18)29-4)12-24-21(27)17-9-8-16(14(3)25-17)22(28)30-6-2/h7-11H,5-6,12-13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyVYQKBVFTOHSLCT-UHFFFAOYSA-N
MW429.47 g/mol
LogP2.02
Rot. Bonds10

About ethyl 6-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate

ethyl 6-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate (PubChem CID 55746045) has the molecular formula C22H27N3O6 and a molecular weight of 429.47 g/mol. Its IUPAC name is ethyl 6-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate
PubChem CID55746045
Molecular FormulaC22H27N3O6
Molecular Weight429.47 g/mol
Exact Mass429.19
IUPAC Nameethyl 6-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCNC(=O)COc1ccc(CNC(=O)c2ccc(C(=O)OCC)c(C)n2)cc1OC
InChIInChI=1S/C22H27N3O6/c1-5-23-20(26)13-31-18-10-7-15(11-19(18)29-4)12-24-21(27)17-9-8-16(14(3)25-17)22(28)30-6-2/h7-11H,5-6,12-13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyVYQKBVFTOHSLCT-UHFFFAOYSA-N
XLogP2.02
TPSA115.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
CID 55745890
N-ethyl-2-[2-methoxy-4-[[(N'-methylcarbamimidoyl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 110915872
4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 55745941
4-ethoxy-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-5-methoxy-2-nitrobenzamide
CID 55746037
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 55745756
N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55912633
2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
5-chloro-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 55781267
3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide
CID 119949555
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
CID 55745887
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]acetamide
CID 55781370

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate (CID 55746045) is ethyl 6-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate is CCNC(=O)COc1ccc(CNC(=O)c2ccc(C(=O)OCC)c(C)n2)cc1OC.
What is the InChIKey of ethyl 6-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate?
The InChIKey is VYQKBVFTOHSLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6/c1-5-23-20(26)13-31-18-10-7-15(11-19(18)29-4)12-24-21(27)17-9-8-16(14(3)25-17)22(28)30-6-2/h7-11H,5-6,12-13H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of ethyl 6-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate?
ethyl 6-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate has a molecular weight of 429.47 g/mol, XLogP of 2.02, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 55746045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).