methyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate

C18H17Cl2N3O4 — CID 71881377

IUPACmethyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C18H17Cl2N3O4/c1-26-18(25)13-10-11(23-6-8-27-9-7-23)2-4-14(13)21-17(24)12-3-5-15(19)22-16(12)20/h2-5,10H,6-9H2,1H3,(H,21,24)
InChIKeyVKTSBHIIRAAYOP-UHFFFAOYSA-N
MW410.26 g/mol
LogP3.26
Rot. Bonds4

About methyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate

methyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate (PubChem CID 71881377) has the molecular formula C18H17Cl2N3O4 and a molecular weight of 410.26 g/mol. Its IUPAC name is methyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate
PubChem CID71881377
Molecular FormulaC18H17Cl2N3O4
Molecular Weight410.26 g/mol
Exact Mass409.06
IUPAC Namemethyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C18H17Cl2N3O4/c1-26-18(25)13-10-11(23-6-8-27-9-7-23)2-4-14(13)21-17(24)12-3-5-15(19)22-16(12)20/h2-5,10H,6-9H2,1H3,(H,21,24)
InChIKeyVKTSBHIIRAAYOP-UHFFFAOYSA-N
XLogP3.26
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 55670935
methyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate
CID 56523449
methyl 2-[[2-(methylamino)acetyl]amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840940
methyl 2-[(3-amino-2-methylbutanoyl)amino]-5-morpholin-4-ylbenzoate
CID 120502747
methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate
CID 134033506
methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840970
methyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate
CID 55670752
methyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 46450917
methyl 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 56523072
methyl 2-[[2-methyl-3-(methylamino)propanoyl]amino]-5-morpholin-4-ylbenzoate
CID 119840953
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 120595061
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate?
The IUPAC name of methyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate (CID 71881377) is methyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate is COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of methyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate?
The InChIKey is VKTSBHIIRAAYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O4/c1-26-18(25)13-10-11(23-6-8-27-9-7-23)2-4-14(13)21-17(24)12-3-5-15(19)22-16(12)20/h2-5,10H,6-9H2,1H3,(H,21,24).
What are the key properties of methyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate?
methyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate has a molecular weight of 410.26 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate is sourced from PubChem (CID 71881377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).