ethyl 3,5-dichloro-4-[(4-cyclopentyloxy-5-methoxypyridine-2-carbonyl)amino]benzoate

C21H22Cl2N2O5 — CID 22145804

IUPACethyl 3,5-dichloro-4-[(4-cyclopentyloxy-5-methoxypyridine-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cc(Cl)c(NC(=O)c2cc(OC3CCCC3)c(OC)cn2)c(Cl)c1
InChIInChI=1S/C21H22Cl2N2O5/c1-3-29-21(27)12-8-14(22)19(15(23)9-12)25-20(26)16-10-17(18(28-2)11-24-16)30-13-6-4-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,25,26)
InChIKeyVVTFODUHSSWEIQ-UHFFFAOYSA-N
MW453.32 g/mol
LogP5.15
Rot. Bonds7

About ethyl 3,5-dichloro-4-[(4-cyclopentyloxy-5-methoxypyridine-2-carbonyl)amino]benzoate

ethyl 3,5-dichloro-4-[(4-cyclopentyloxy-5-methoxypyridine-2-carbonyl)amino]benzoate (PubChem CID 22145804) has the molecular formula C21H22Cl2N2O5 and a molecular weight of 453.32 g/mol. Its IUPAC name is ethyl 3,5-dichloro-4-[(4-cyclopentyloxy-5-methoxypyridine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3,5-dichloro-4-[(4-cyclopentyloxy-5-methoxypyridine-2-carbonyl)amino]benzoate
PubChem CID22145804
Molecular FormulaC21H22Cl2N2O5
Molecular Weight453.32 g/mol
Exact Mass452.09
IUPAC Nameethyl 3,5-dichloro-4-[(4-cyclopentyloxy-5-methoxypyridine-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cc(Cl)c(NC(=O)c2cc(OC3CCCC3)c(OC)cn2)c(Cl)c1
InChIInChI=1S/C21H22Cl2N2O5/c1-3-29-21(27)12-8-14(22)19(15(23)9-12)25-20(26)16-10-17(18(28-2)11-24-16)30-13-6-4-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,25,26)
InChIKeyVVTFODUHSSWEIQ-UHFFFAOYSA-N
XLogP5.15
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.32
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3,5-dichloro-4-[(4-cyclopentyloxy-5-methoxypyridine-2-carbonyl)amino]benzoate with MolForge

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Related Compounds

4-cyclopentyloxy-5-methoxy-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 22145755
N-(2-acetylphenyl)-4-cyclopentyloxy-5-methoxypyridine-2-carboxamide
CID 22145881
4-cyclopentyloxy-5-methoxy-N-(2-sulfamoylphenyl)pyridine-2-carboxamide
CID 22145732
4-cyclopentyloxy-N-[2-(dimethylamino)phenyl]-5-methoxypyridine-2-carboxamide
CID 22145840
4-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-1-ium-4-yl)-5-methoxypyridine-2-carboxamide
CID 144634893
ethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate
CID 67586843
methyl 3-chloro-4-(cyclobutylamino)-5-methoxybenzoate
CID 123475225
2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethylcarbamic acid
CID 18763381
ethyl 4-amino-3-cyclohexyloxybenzoate
CID 82796678
ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate
CID 139988631
3-chloro-4-cyclopropyloxybenzoic acid;ethyl 3-chloro-4-cyclopropyloxybenzoate
CID 161018051
3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide
CID 23204628

Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dichloro-4-[(4-cyclopentyloxy-5-methoxypyridine-2-carbonyl)amino]benzoate?
The IUPAC name of ethyl 3,5-dichloro-4-[(4-cyclopentyloxy-5-methoxypyridine-2-carbonyl)amino]benzoate (CID 22145804) is ethyl 3,5-dichloro-4-[(4-cyclopentyloxy-5-methoxypyridine-2-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 3,5-dichloro-4-[(4-cyclopentyloxy-5-methoxypyridine-2-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 3,5-dichloro-4-[(4-cyclopentyloxy-5-methoxypyridine-2-carbonyl)amino]benzoate is CCOC(=O)c1cc(Cl)c(NC(=O)c2cc(OC3CCCC3)c(OC)cn2)c(Cl)c1.
What is the InChIKey of ethyl 3,5-dichloro-4-[(4-cyclopentyloxy-5-methoxypyridine-2-carbonyl)amino]benzoate?
The InChIKey is VVTFODUHSSWEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O5/c1-3-29-21(27)12-8-14(22)19(15(23)9-12)25-20(26)16-10-17(18(28-2)11-24-16)30-13-6-4-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,25,26).
What are the key properties of ethyl 3,5-dichloro-4-[(4-cyclopentyloxy-5-methoxypyridine-2-carbonyl)amino]benzoate?
ethyl 3,5-dichloro-4-[(4-cyclopentyloxy-5-methoxypyridine-2-carbonyl)amino]benzoate has a molecular weight of 453.32 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dichloro-4-[(4-cyclopentyloxy-5-methoxypyridine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 22145804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).