methyl 4-amino-3-(pyridine-2-carbonylamino)benzoate

C14H13N3O3 — CID 110481979

IUPACmethyl 4-amino-3-(pyridine-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(N)c(NC(=O)c2ccccn2)c1
InChIInChI=1S/C14H13N3O3/c1-20-14(19)9-5-6-10(15)12(8-9)17-13(18)11-4-2-3-7-16-11/h2-8H,15H2,1H3,(H,17,18)
InChIKeyOXXJGVDPVOSZHT-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.70
Rot. Bonds3

About methyl 4-amino-3-(pyridine-2-carbonylamino)benzoate

methyl 4-amino-3-(pyridine-2-carbonylamino)benzoate (PubChem CID 110481979) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is methyl 4-amino-3-(pyridine-2-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(pyridine-2-carbonylamino)benzoate
PubChem CID110481979
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Namemethyl 4-amino-3-(pyridine-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(N)c(NC(=O)c2ccccn2)c1
InChIInChI=1S/C14H13N3O3/c1-20-14(19)9-5-6-10(15)12(8-9)17-13(18)11-4-2-3-7-16-11/h2-8H,15H2,1H3,(H,17,18)
InChIKeyOXXJGVDPVOSZHT-UHFFFAOYSA-N
XLogP1.70
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide
CID 55037245
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460
N-(2-amino-4-methylphenyl)pyridine-2-carboxamide
CID 43259115
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811
methyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate
CID 166201187
N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 113438955
methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate
CID 18084339
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
N-(6-amino-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 43548362
methyl 4-amino-3-[(2,6-dichlorophenyl)carbamothioylamino]benzoate
CID 11210899
N-(8-aminoquinolin-5-yl)pyridine-2-carboxamide
CID 104826471
methyl 4-amino-3-(2-bromoanilino)benzoate
CID 82785601

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(pyridine-2-carbonylamino)benzoate?
The IUPAC name of methyl 4-amino-3-(pyridine-2-carbonylamino)benzoate (CID 110481979) is methyl 4-amino-3-(pyridine-2-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-amino-3-(pyridine-2-carbonylamino)benzoate?
The canonical SMILES for methyl 4-amino-3-(pyridine-2-carbonylamino)benzoate is COC(=O)c1ccc(N)c(NC(=O)c2ccccn2)c1.
What is the InChIKey of methyl 4-amino-3-(pyridine-2-carbonylamino)benzoate?
The InChIKey is OXXJGVDPVOSZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-20-14(19)9-5-6-10(15)12(8-9)17-13(18)11-4-2-3-7-16-11/h2-8H,15H2,1H3,(H,17,18).
What are the key properties of methyl 4-amino-3-(pyridine-2-carbonylamino)benzoate?
methyl 4-amino-3-(pyridine-2-carbonylamino)benzoate has a molecular weight of 271.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(pyridine-2-carbonylamino)benzoate is sourced from PubChem (CID 110481979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).