methyl 2-(3-aminobenzoyl)pyridine-3-carboxylate

C14H12N2O3 — CID 66966592

IUPACmethyl 2-(3-aminobenzoyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C(=O)c1cccc(N)c1
InChIInChI=1S/C14H12N2O3/c1-19-14(18)11-6-3-7-16-12(11)13(17)9-4-2-5-10(15)8-9/h2-8H,15H2,1H3
InChIKeyMLDKNAATNHTBBK-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.68
Rot. Bonds3

About methyl 2-(3-aminobenzoyl)pyridine-3-carboxylate

methyl 2-(3-aminobenzoyl)pyridine-3-carboxylate (PubChem CID 66966592) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is methyl 2-(3-aminobenzoyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-aminobenzoyl)pyridine-3-carboxylate
PubChem CID66966592
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Namemethyl 2-(3-aminobenzoyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C(=O)c1cccc(N)c1
InChIInChI=1S/C14H12N2O3/c1-19-14(18)11-6-3-7-16-12(11)13(17)9-4-2-5-10(15)8-9/h2-8H,15H2,1H3
InChIKeyMLDKNAATNHTBBK-UHFFFAOYSA-N
XLogP1.68
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid
CID 19700797
2-(3-methoxycarbonyl-4-methylbenzoyl)pyridine-3-carboxylic acid
CID 19700910
methyl 3-(3-bromobenzoyl)pyridine-2-carboxylate
CID 19700837
methyl 3-(2-methoxypyridine-3-carbonyl)benzoate
CID 24723743
methyl 3-aminobenzoate;1,2-xylene
CID 174602460
methyl 2-(2-bromoacetyl)pyridine-3-carboxylate;hydrobromide
CID 173079683
ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate
CID 19700964
methyl 2-(3-oxopropanoyl)pyridine-3-carboxylate
CID 57318623
methyl 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate
CID 103011853
methyl 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylate
CID 19855252

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-aminobenzoyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(3-aminobenzoyl)pyridine-3-carboxylate (CID 66966592) is methyl 2-(3-aminobenzoyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(3-aminobenzoyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(3-aminobenzoyl)pyridine-3-carboxylate is COC(=O)c1cccnc1C(=O)c1cccc(N)c1.
What is the InChIKey of methyl 2-(3-aminobenzoyl)pyridine-3-carboxylate?
The InChIKey is MLDKNAATNHTBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-19-14(18)11-6-3-7-16-12(11)13(17)9-4-2-5-10(15)8-9/h2-8H,15H2,1H3.
What are the key properties of methyl 2-(3-aminobenzoyl)pyridine-3-carboxylate?
methyl 2-(3-aminobenzoyl)pyridine-3-carboxylate has a molecular weight of 256.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-aminobenzoyl)pyridine-3-carboxylate is sourced from PubChem (CID 66966592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).