methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate

C18H19N3O4 — CID 113035315

IUPACmethyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(NC(=O)C3CCCO3)nc2)c1
InChIInChI=1S/C18H19N3O4/c1-24-18(23)12-4-2-5-13(10-12)20-14-7-8-16(19-11-14)21-17(22)15-6-3-9-25-15/h2,4-5,7-8,10-11,15,20H,3,6,9H2,1H3,(H,19,21,22)
InChIKeyMQYXPAHBWZQIBU-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.73
Rot. Bonds5

About methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate

methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate (PubChem CID 113035315) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate
PubChem CID113035315
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Namemethyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(NC(=O)C3CCCO3)nc2)c1
InChIInChI=1S/C18H19N3O4/c1-24-18(23)12-4-2-5-13(10-12)20-14-7-8-16(19-11-14)21-17(22)15-6-3-9-25-15/h2,4-5,7-8,10-11,15,20H,3,6,9H2,1H3,(H,19,21,22)
InChIKeyMQYXPAHBWZQIBU-UHFFFAOYSA-N
XLogP2.73
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[5-(oxane-4-carbonylamino)-2-pyridinyl]amino]benzoate
CID 113020710
N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113032322
N-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113048185
N-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113031947
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113035628
N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113019484
N-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113036541
N-[5-(cycloheptylamino)-2-pyridinyl]oxolane-2-carboxamide
CID 113030095
methyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113035339
N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113034101
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113033729
(2R)-N-[3-[(5-bromo-4-methoxy-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 97249037

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate (CID 113035315) is methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate is COC(=O)c1cccc(Nc2ccc(NC(=O)C3CCCO3)nc2)c1.
What is the InChIKey of methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate?
The InChIKey is MQYXPAHBWZQIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-24-18(23)12-4-2-5-13(10-12)20-14-7-8-16(19-11-14)21-17(22)15-6-3-9-25-15/h2,4-5,7-8,10-11,15,20H,3,6,9H2,1H3,(H,19,21,22).
What are the key properties of methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate?
methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate has a molecular weight of 341.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 113035315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).