ethyl 6-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-methylpyridine-3-carboxylate

C18H19ClN2O4 — CID 55889019

IUPACethyl 6-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OCC)nc1C
InChIInChI=1S/C18H19ClN2O4/c1-4-24-16-9-6-12(19)10-15(16)21-17(22)14-8-7-13(11(3)20-14)18(23)25-5-2/h6-10H,4-5H2,1-3H3,(H,21,22)
InChIKeyMGWYPAMPEZWMRD-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.87
Rot. Bonds6

About ethyl 6-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-methylpyridine-3-carboxylate

ethyl 6-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-methylpyridine-3-carboxylate (PubChem CID 55889019) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is ethyl 6-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
PubChem CID55889019
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Nameethyl 6-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OCC)nc1C
InChIInChI=1S/C18H19ClN2O4/c1-4-24-16-9-6-12(19)10-15(16)21-17(22)14-8-7-13(11(3)20-14)18(23)25-5-2/h6-10H,4-5H2,1-3H3,(H,21,22)
InChIKeyMGWYPAMPEZWMRD-UHFFFAOYSA-N
XLogP3.87
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 4779142
ethyl 2-methyl-6-[[2-(2-methylpropoxy)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55888060
5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide
CID 61290409
ethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55675187
2-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 79703321
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
N-(5-chloro-2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380454
2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
CID 55821778
ethyl 6-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55600393
ethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate
CID 44577383
2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide
CID 54862650
ethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate
CID 16725910

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-methylpyridine-3-carboxylate (CID 55889019) is ethyl 6-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OCC)nc1C.
What is the InChIKey of ethyl 6-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-methylpyridine-3-carboxylate?
The InChIKey is MGWYPAMPEZWMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-4-24-16-9-6-12(19)10-15(16)21-17(22)14-8-7-13(11(3)20-14)18(23)25-5-2/h6-10H,4-5H2,1-3H3,(H,21,22).
What are the key properties of ethyl 6-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-methylpyridine-3-carboxylate?
ethyl 6-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-methylpyridine-3-carboxylate has a molecular weight of 362.81 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 55889019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).