methyl 4-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]benzoate

C18H16N4O3 — CID 1472422

IUPACmethyl 4-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cn(-c3cccc(C)n3)cn2)cc1
InChIInChI=1S/C18H16N4O3/c1-12-4-3-5-16(20-12)22-10-15(19-11-22)17(23)21-14-8-6-13(7-9-14)18(24)25-2/h3-11H,1-2H3,(H,21,23)
InChIKeyPDPZWTFPXHYLSM-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.61
Rot. Bonds4

About methyl 4-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]benzoate

methyl 4-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]benzoate (PubChem CID 1472422) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is methyl 4-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]benzoate
PubChem CID1472422
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Namemethyl 4-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cn(-c3cccc(C)n3)cn2)cc1
InChIInChI=1S/C18H16N4O3/c1-12-4-3-5-16(20-12)22-10-15(19-11-22)17(23)21-14-8-6-13(7-9-14)18(24)25-2/h3-11H,1-2H3,(H,21,23)
InChIKeyPDPZWTFPXHYLSM-UHFFFAOYSA-N
XLogP2.61
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]benzoate (CID 1472422) is methyl 4-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cn(-c3cccc(C)n3)cn2)cc1.
What is the InChIKey of methyl 4-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]benzoate?
The InChIKey is PDPZWTFPXHYLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-12-4-3-5-16(20-12)22-10-15(19-11-22)17(23)21-14-8-6-13(7-9-14)18(24)25-2/h3-11H,1-2H3,(H,21,23).
What are the key properties of methyl 4-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]benzoate?
methyl 4-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]benzoate has a molecular weight of 336.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]benzoate is sourced from PubChem (CID 1472422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).