methyl 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)amino]-5-morpholin-4-ylbenzoate

C24H26N4O4 — CID 56523072

IUPACmethyl 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)amino]-5-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cc(C)n(-c2cccnc2)c1C
InChIInChI=1S/C24H26N4O4/c1-16-13-20(17(2)28(16)19-5-4-8-25-15-19)23(29)26-22-7-6-18(14-21(22)24(30)31-3)27-9-11-32-12-10-27/h4-8,13-15H,9-12H2,1-3H3,(H,26,29)
InChIKeyMDTOKKQXPLRVKR-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.36
Rot. Bonds5

About methyl 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)amino]-5-morpholin-4-ylbenzoate

methyl 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)amino]-5-morpholin-4-ylbenzoate (PubChem CID 56523072) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is methyl 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)amino]-5-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)amino]-5-morpholin-4-ylbenzoate
PubChem CID56523072
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Namemethyl 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)amino]-5-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cc(C)n(-c2cccnc2)c1C
InChIInChI=1S/C24H26N4O4/c1-16-13-20(17(2)28(16)19-5-4-8-25-15-19)23(29)26-22-7-6-18(14-21(22)24(30)31-3)27-9-11-32-12-10-27/h4-8,13-15H,9-12H2,1-3H3,(H,26,29)
InChIKeyMDTOKKQXPLRVKR-UHFFFAOYSA-N
XLogP3.36
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)amino]-5-morpholin-4-ylbenzoate with MolForge

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Related Compounds

methyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 71881377
methyl 2-[[2-(methylamino)acetyl]amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840940
methyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate
CID 56523449
methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840970
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
methyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate
CID 55670752
N-(2-acetyl-4-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 66659181
methyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 55670935
methyl 2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]-5-morpholin-4-ylbenzoate
CID 56523034
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylpyrrole-3-carboxamide
CID 55678327
methyl 2-[(3-amino-2-methylbutanoyl)amino]-5-morpholin-4-ylbenzoate
CID 120502747
methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate
CID 134033506

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)amino]-5-morpholin-4-ylbenzoate?
The IUPAC name of methyl 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)amino]-5-morpholin-4-ylbenzoate (CID 56523072) is methyl 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)amino]-5-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)amino]-5-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)amino]-5-morpholin-4-ylbenzoate is COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cc(C)n(-c2cccnc2)c1C.
What is the InChIKey of methyl 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)amino]-5-morpholin-4-ylbenzoate?
The InChIKey is MDTOKKQXPLRVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-16-13-20(17(2)28(16)19-5-4-8-25-15-19)23(29)26-22-7-6-18(14-21(22)24(30)31-3)27-9-11-32-12-10-27/h4-8,13-15H,9-12H2,1-3H3,(H,26,29).
What are the key properties of methyl 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)amino]-5-morpholin-4-ylbenzoate?
methyl 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)amino]-5-morpholin-4-ylbenzoate has a molecular weight of 434.50 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)amino]-5-morpholin-4-ylbenzoate is sourced from PubChem (CID 56523072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).