methyl 2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate

C18H19N3O4 — CID 109184691

IUPACmethyl 2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(C(=O)N2CCOCC2)nc1
InChIInChI=1S/C18H19N3O4/c1-24-18(23)14-4-2-3-5-15(14)20-13-6-7-16(19-12-13)17(22)21-8-10-25-11-9-21/h2-7,12,20H,8-11H2,1H3
InChIKeyVVWXRRZHGHKLJO-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.08
Rot. Bonds4

About methyl 2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate

methyl 2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate (PubChem CID 109184691) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is methyl 2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate
PubChem CID109184691
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Namemethyl 2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(C(=O)N2CCOCC2)nc1
InChIInChI=1S/C18H19N3O4/c1-24-18(23)14-4-2-3-5-15(14)20-13-6-7-16(19-12-13)17(22)21-8-10-25-11-9-21/h2-7,12,20H,8-11H2,1H3
InChIKeyVVWXRRZHGHKLJO-UHFFFAOYSA-N
XLogP2.08
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184658
methyl 2-[[6-(morpholine-4-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109343652
[5-(methylamino)-2-pyridinyl]-(1,4-oxazepan-4-yl)methanone
CID 113436167
[5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184671
[5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193419
methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199882
[5-(benzylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184568
[5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184666
[5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184706
[5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181885
methyl 2-[[5-(2-methoxyanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199740
ethyl 4-[5-(2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194154

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate (CID 109184691) is methyl 2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate is COC(=O)c1ccccc1Nc1ccc(C(=O)N2CCOCC2)nc1.
What is the InChIKey of methyl 2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate?
The InChIKey is VVWXRRZHGHKLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-24-18(23)14-4-2-3-5-15(14)20-13-6-7-16(19-12-13)17(22)21-8-10-25-11-9-21/h2-7,12,20H,8-11H2,1H3.
What are the key properties of methyl 2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate?
methyl 2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate has a molecular weight of 341.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109184691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).