methyl 6-(2-aminoanilino)pyridine-3-carboxylate

C13H13N3O2 — CID 118017531

IUPACmethyl 6-(2-aminoanilino)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2ccccc2N)nc1
InChIInChI=1S/C13H13N3O2/c1-18-13(17)9-6-7-12(15-8-9)16-11-5-3-2-4-10(11)14/h2-8H,14H2,1H3,(H,15,16)
InChIKeySMJPMFUKJBWUEL-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.19
Rot. Bonds3

About methyl 6-(2-aminoanilino)pyridine-3-carboxylate

methyl 6-(2-aminoanilino)pyridine-3-carboxylate (PubChem CID 118017531) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is methyl 6-(2-aminoanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-aminoanilino)pyridine-3-carboxylate
PubChem CID118017531
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Namemethyl 6-(2-aminoanilino)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2ccccc2N)nc1
InChIInChI=1S/C13H13N3O2/c1-18-13(17)9-6-7-12(15-8-9)16-11-5-3-2-4-10(11)14/h2-8H,14H2,1H3,(H,15,16)
InChIKeySMJPMFUKJBWUEL-UHFFFAOYSA-N
XLogP2.19
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.19
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

methyl 4-(2-aminoanilino)benzoate
CID 68667054
methyl 6-[(3-methyl-4-pyridinyl)amino]pyridine-3-carboxylate
CID 66524293
methyl 6-(5-carbamoyl-2-fluoroanilino)pyridine-3-carboxylate
CID 171913696
methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163865
6-(2-methylanilino)pyridine-3-carbonyl chloride
CID 151910424
ethane;methyl 6-benzamidopyridine-3-carboxylate
CID 91195390
methyl 4-[[6-(2-propan-2-ylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163018
methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109153940
methyl 2-[[5-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163904
methyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109161569
methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate
CID 54003775
methyl 6-(cyclopentylamino)pyridine-3-carboxylate
CID 154654018

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-aminoanilino)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(2-aminoanilino)pyridine-3-carboxylate (CID 118017531) is methyl 6-(2-aminoanilino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2-aminoanilino)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2-aminoanilino)pyridine-3-carboxylate is COC(=O)c1ccc(Nc2ccccc2N)nc1.
What is the InChIKey of methyl 6-(2-aminoanilino)pyridine-3-carboxylate?
The InChIKey is SMJPMFUKJBWUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-18-13(17)9-6-7-12(15-8-9)16-11-5-3-2-4-10(11)14/h2-8H,14H2,1H3,(H,15,16).
What are the key properties of methyl 6-(2-aminoanilino)pyridine-3-carboxylate?
methyl 6-(2-aminoanilino)pyridine-3-carboxylate has a molecular weight of 243.27 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-aminoanilino)pyridine-3-carboxylate is sourced from PubChem (CID 118017531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).