ethyl 3-[(2-chloropyridine-3-carbonyl)-(methoxymethyl)amino]-5-methoxybenzoate

C18H19ClN2O5 — CID 58424921

IUPACethyl 3-[(2-chloropyridine-3-carbonyl)-(methoxymethyl)amino]-5-methoxybenzoate
SMILESCCOC(=O)c1cc(OC)cc(N(COC)C(=O)c2cccnc2Cl)c1
InChIInChI=1S/C18H19ClN2O5/c1-4-26-18(23)12-8-13(10-14(9-12)25-3)21(11-24-2)17(22)15-6-5-7-20-16(15)19/h5-10H,4,11H2,1-3H3
InChIKeyGEGCJLFEECGUTI-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.17
Rot. Bonds7

About ethyl 3-[(2-chloropyridine-3-carbonyl)-(methoxymethyl)amino]-5-methoxybenzoate

ethyl 3-[(2-chloropyridine-3-carbonyl)-(methoxymethyl)amino]-5-methoxybenzoate (PubChem CID 58424921) has the molecular formula C18H19ClN2O5 and a molecular weight of 378.81 g/mol. Its IUPAC name is ethyl 3-[(2-chloropyridine-3-carbonyl)-(methoxymethyl)amino]-5-methoxybenzoate.

Molecular Properties

Compound Nameethyl 3-[(2-chloropyridine-3-carbonyl)-(methoxymethyl)amino]-5-methoxybenzoate
PubChem CID58424921
Molecular FormulaC18H19ClN2O5
Molecular Weight378.81 g/mol
Exact Mass378.10
IUPAC Nameethyl 3-[(2-chloropyridine-3-carbonyl)-(methoxymethyl)amino]-5-methoxybenzoate
SMILESCCOC(=O)c1cc(OC)cc(N(COC)C(=O)c2cccnc2Cl)c1
InChIInChI=1S/C18H19ClN2O5/c1-4-26-18(23)12-8-13(10-14(9-12)25-3)21(11-24-2)17(22)15-6-5-7-20-16(15)19/h5-10H,4,11H2,1-3H3
InChIKeyGEGCJLFEECGUTI-UHFFFAOYSA-N
XLogP3.17
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(2-chloropyridine-3-carbonyl)-[(4-methoxyphenyl)methyl]amino]benzoate
CID 58424922
ethyl 3-[4-[(2-chloropyridine-3-carbonyl)-(methoxymethyl)amino]phenyl]propanoate
CID 58424857
2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631218
2-chloro-N-methoxy-N-methylpyridine-3-carboxamide
CID 10236076
N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide
CID 43374214
3-ethoxycarbonyl-5-methoxybenzoic acid
CID 15472357
diethyl 5-amino-3-[(2-chloropyridine-3-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate
CID 7867548
ethane;ethyl 3-(2-chloro-3-pyridinyl)-3-oxopropanoate
CID 142186880
2-chloro-N-(methoxymethyl)pyridine-3-carboxamide
CID 71433413
2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 24903460
butyl 2-chloropyridine-3-carboxylate
CID 11310412
tert-butyl [4-[(2-chloropyridine-3-carbonyl)-(methoxymethyl)amino]phenyl] carbonate;tert-butyl [6-(methoxymethyl)-5-oxobenzo[h][1,6]naphthyridin-9-yl] carbonate
CID 159199778

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-chloropyridine-3-carbonyl)-(methoxymethyl)amino]-5-methoxybenzoate?
The IUPAC name of ethyl 3-[(2-chloropyridine-3-carbonyl)-(methoxymethyl)amino]-5-methoxybenzoate (CID 58424921) is ethyl 3-[(2-chloropyridine-3-carbonyl)-(methoxymethyl)amino]-5-methoxybenzoate.
What is the SMILES notation for ethyl 3-[(2-chloropyridine-3-carbonyl)-(methoxymethyl)amino]-5-methoxybenzoate?
The canonical SMILES for ethyl 3-[(2-chloropyridine-3-carbonyl)-(methoxymethyl)amino]-5-methoxybenzoate is CCOC(=O)c1cc(OC)cc(N(COC)C(=O)c2cccnc2Cl)c1.
What is the InChIKey of ethyl 3-[(2-chloropyridine-3-carbonyl)-(methoxymethyl)amino]-5-methoxybenzoate?
The InChIKey is GEGCJLFEECGUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5/c1-4-26-18(23)12-8-13(10-14(9-12)25-3)21(11-24-2)17(22)15-6-5-7-20-16(15)19/h5-10H,4,11H2,1-3H3.
What are the key properties of ethyl 3-[(2-chloropyridine-3-carbonyl)-(methoxymethyl)amino]-5-methoxybenzoate?
ethyl 3-[(2-chloropyridine-3-carbonyl)-(methoxymethyl)amino]-5-methoxybenzoate has a molecular weight of 378.81 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-chloropyridine-3-carbonyl)-(methoxymethyl)amino]-5-methoxybenzoate is sourced from PubChem (CID 58424921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).