methyl 4-[[5-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate

C18H19N3O4 — CID 109228503

IUPACmethyl 4-[[5-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cncc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C18H19N3O4/c1-24-18(23)13-2-4-15(5-3-13)20-16-10-14(11-19-12-16)17(22)21-6-8-25-9-7-21/h2-5,10-12,20H,6-9H2,1H3
InChIKeyGFVUYXHNETWEKJ-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.08
Rot. Bonds4

About methyl 4-[[5-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate

methyl 4-[[5-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate (PubChem CID 109228503) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is methyl 4-[[5-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate
PubChem CID109228503
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Namemethyl 4-[[5-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cncc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C18H19N3O4/c1-24-18(23)13-2-4-15(5-3-13)20-16-10-14(11-19-12-16)17(22)21-6-8-25-9-7-21/h2-5,10-12,20H,6-9H2,1H3
InChIKeyGFVUYXHNETWEKJ-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

morpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
CID 109228509
methyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109252166
morpholin-4-yl-[5-(2,4,6-trimethylanilino)-3-pyridinyl]methanone
CID 109228463
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
[5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109228524
N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109225638
(4-methylpiperazin-1-yl)-[5-[4-(4-methylpiperazin-1-yl)anilino]-3-pyridinyl]methanone
CID 109230198
N-(4-methoxyphenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103828
[5-(2,4-difluoroanilino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 109228527
methyl 3-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]-4-chlorobenzoate
CID 109241274
1-[4-[5-(4-chloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231098
N-[4-[[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109230186

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate (CID 109228503) is methyl 4-[[5-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate is COC(=O)c1ccc(Nc2cncc(C(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of methyl 4-[[5-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate?
The InChIKey is GFVUYXHNETWEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-24-18(23)13-2-4-15(5-3-13)20-16-10-14(11-19-12-16)17(22)21-6-8-25-9-7-21/h2-5,10-12,20H,6-9H2,1H3.
What are the key properties of methyl 4-[[5-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate?
methyl 4-[[5-(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 4-[[5-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109228503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).