methyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate

C25H25N5O6 — CID 23605079

IUPACmethyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Nc2cc(NC(=O)Nc3ccc(C(=O)OC)cc3)c(C)nc2C)cc1
InChIInChI=1S/C25H25N5O6/c1-14-20(29-24(33)27-18-9-5-16(6-10-18)22(31)35-3)13-21(15(2)26-14)30-25(34)28-19-11-7-17(8-12-19)23(32)36-4/h5-13H,1-4H3,(H2,27,29,33)(H2,28,30,34)
InChIKeyFEQGSSMVQOQAIO-UHFFFAOYSA-N
MW491.50 g/mol
LogP4.56
Rot. Bonds6

About methyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate

methyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate (PubChem CID 23605079) has the molecular formula C25H25N5O6 and a molecular weight of 491.50 g/mol. Its IUPAC name is methyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate
PubChem CID23605079
Molecular FormulaC25H25N5O6
Molecular Weight491.50 g/mol
Exact Mass491.18
IUPAC Namemethyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Nc2cc(NC(=O)Nc3ccc(C(=O)OC)cc3)c(C)nc2C)cc1
InChIInChI=1S/C25H25N5O6/c1-14-20(29-24(33)27-18-9-5-16(6-10-18)22(31)35-3)13-21(15(2)26-14)30-25(34)28-19-11-7-17(8-12-19)23(32)36-4/h5-13H,1-4H3,(H2,27,29,33)(H2,28,30,34)
InChIKeyFEQGSSMVQOQAIO-UHFFFAOYSA-N
XLogP4.56
TPSA147.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 54.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-3-[5-[(4-bromophenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]urea
CID 4860693
methyl 4-[(2-bromo-4-methylphenyl)carbamoylamino]benzoate
CID 108992383
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050
methyl 4-[(4-fluorophenyl)carbamoylamino]benzoate
CID 2402760
dimethyl 2-[(4-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate
CID 108866342
methyl 4-(quinoxalin-6-ylcarbamoylamino)benzoate
CID 3934673
methyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]benzoate
CID 46390718
ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate
CID 108992396
methyl 4-(cyanomethylcarbamoylamino)benzoate
CID 108864803
ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate
CID 23613697
methyl 4-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 31703569
methyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate
CID 108811946

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate?
The IUPAC name of methyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate (CID 23605079) is methyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate.
What is the SMILES notation for methyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate?
The canonical SMILES for methyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate is COC(=O)c1ccc(NC(=O)Nc2cc(NC(=O)Nc3ccc(C(=O)OC)cc3)c(C)nc2C)cc1.
What is the InChIKey of methyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate?
The InChIKey is FEQGSSMVQOQAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O6/c1-14-20(29-24(33)27-18-9-5-16(6-10-18)22(31)35-3)13-21(15(2)26-14)30-25(34)28-19-11-7-17(8-12-19)23(32)36-4/h5-13H,1-4H3,(H2,27,29,33)(H2,28,30,34).
What are the key properties of methyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate?
methyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate has a molecular weight of 491.50 g/mol, XLogP of 4.56, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate is sourced from PubChem (CID 23605079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).