methyl 2-[(6-methyl-2-pyridinyl)carbamoylamino]benzoate

C15H15N3O3 — CID 6469333

IUPACmethyl 2-[(6-methyl-2-pyridinyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1cccc(C)n1
InChIInChI=1S/C15H15N3O3/c1-10-6-5-9-13(16-10)18-15(20)17-12-8-4-3-7-11(12)14(19)21-2/h3-9H,1-2H3,(H2,16,17,18,20)
InChIKeyCOVWYRNRZCKAKP-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.82
Rot. Bonds3

About methyl 2-[(6-methyl-2-pyridinyl)carbamoylamino]benzoate

methyl 2-[(6-methyl-2-pyridinyl)carbamoylamino]benzoate (PubChem CID 6469333) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 2-[(6-methyl-2-pyridinyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(6-methyl-2-pyridinyl)carbamoylamino]benzoate
PubChem CID6469333
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namemethyl 2-[(6-methyl-2-pyridinyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1cccc(C)n1
InChIInChI=1S/C15H15N3O3/c1-10-6-5-9-13(16-10)18-15(20)17-12-8-4-3-7-11(12)14(19)21-2/h3-9H,1-2H3,(H2,16,17,18,20)
InChIKeyCOVWYRNRZCKAKP-UHFFFAOYSA-N
XLogP2.82
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methyl-2-pyridinyl)carbamoylamino]benzoate?
The IUPAC name of methyl 2-[(6-methyl-2-pyridinyl)carbamoylamino]benzoate (CID 6469333) is methyl 2-[(6-methyl-2-pyridinyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 2-[(6-methyl-2-pyridinyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 2-[(6-methyl-2-pyridinyl)carbamoylamino]benzoate is COC(=O)c1ccccc1NC(=O)Nc1cccc(C)n1.
What is the InChIKey of methyl 2-[(6-methyl-2-pyridinyl)carbamoylamino]benzoate?
The InChIKey is COVWYRNRZCKAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-6-5-9-13(16-10)18-15(20)17-12-8-4-3-7-11(12)14(19)21-2/h3-9H,1-2H3,(H2,16,17,18,20).
What are the key properties of methyl 2-[(6-methyl-2-pyridinyl)carbamoylamino]benzoate?
methyl 2-[(6-methyl-2-pyridinyl)carbamoylamino]benzoate has a molecular weight of 285.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methyl-2-pyridinyl)carbamoylamino]benzoate is sourced from PubChem (CID 6469333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).