ethyl 4-[(4-chloro-2,6-dimethylpyridine-3-carbonyl)amino]benzoate;hydrochloride

C17H18Cl2N2O3 — CID 24747029

IUPACethyl 4-[(4-chloro-2,6-dimethylpyridine-3-carbonyl)amino]benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(NC(=O)c2c(Cl)cc(C)nc2C)cc1.Cl
InChIInChI=1S/C17H17ClN2O3.ClH/c1-4-23-17(22)12-5-7-13(8-6-12)20-16(21)15-11(3)19-10(2)9-14(15)18;/h5-9H,4H2,1-3H3,(H,20,21);1H
InChIKeyHPIMYIDSTUFEDT-UHFFFAOYSA-N
MW369.25 g/mol
LogP4.20
Rot. Bonds4

About ethyl 4-[(4-chloro-2,6-dimethylpyridine-3-carbonyl)amino]benzoate;hydrochloride

ethyl 4-[(4-chloro-2,6-dimethylpyridine-3-carbonyl)amino]benzoate;hydrochloride (PubChem CID 24747029) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is ethyl 4-[(4-chloro-2,6-dimethylpyridine-3-carbonyl)amino]benzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-[(4-chloro-2,6-dimethylpyridine-3-carbonyl)amino]benzoate;hydrochloride
PubChem CID24747029
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC Nameethyl 4-[(4-chloro-2,6-dimethylpyridine-3-carbonyl)amino]benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(NC(=O)c2c(Cl)cc(C)nc2C)cc1.Cl
InChIInChI=1S/C17H17ClN2O3.ClH/c1-4-23-17(22)12-5-7-13(8-6-12)20-16(21)15-11(3)19-10(2)9-14(15)18;/h5-9H,4H2,1-3H3,(H,20,21);1H
InChIKeyHPIMYIDSTUFEDT-UHFFFAOYSA-N
XLogP4.20
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 7113437
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CID 11654003
ethyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate
CID 973643
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
ethyl 4-[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]benzoate
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CID 26253075
ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate
CID 18848348
ethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 113000785
ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate
CID 28748768
ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate
CID 109011040
ethyl 4-[[3-(3-chloro-2-methylanilino)-3-oxopropanoyl]amino]benzoate
CID 108955120
ethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109093781

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-chloro-2,6-dimethylpyridine-3-carbonyl)amino]benzoate;hydrochloride?
The IUPAC name of ethyl 4-[(4-chloro-2,6-dimethylpyridine-3-carbonyl)amino]benzoate;hydrochloride (CID 24747029) is ethyl 4-[(4-chloro-2,6-dimethylpyridine-3-carbonyl)amino]benzoate;hydrochloride.
What is the SMILES notation for ethyl 4-[(4-chloro-2,6-dimethylpyridine-3-carbonyl)amino]benzoate;hydrochloride?
The canonical SMILES for ethyl 4-[(4-chloro-2,6-dimethylpyridine-3-carbonyl)amino]benzoate;hydrochloride is CCOC(=O)c1ccc(NC(=O)c2c(Cl)cc(C)nc2C)cc1.Cl.
What is the InChIKey of ethyl 4-[(4-chloro-2,6-dimethylpyridine-3-carbonyl)amino]benzoate;hydrochloride?
The InChIKey is HPIMYIDSTUFEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3.ClH/c1-4-23-17(22)12-5-7-13(8-6-12)20-16(21)15-11(3)19-10(2)9-14(15)18;/h5-9H,4H2,1-3H3,(H,20,21);1H.
What are the key properties of ethyl 4-[(4-chloro-2,6-dimethylpyridine-3-carbonyl)amino]benzoate;hydrochloride?
ethyl 4-[(4-chloro-2,6-dimethylpyridine-3-carbonyl)amino]benzoate;hydrochloride has a molecular weight of 369.25 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-chloro-2,6-dimethylpyridine-3-carbonyl)amino]benzoate;hydrochloride is sourced from PubChem (CID 24747029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).