ethyl 6-(4-aminoanilino)pyridine-3-carboxylate

C14H15N3O2 — CID 63214956

IUPACethyl 6-(4-aminoanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Nc2ccc(N)cc2)nc1
InChIInChI=1S/C14H15N3O2/c1-2-19-14(18)10-3-8-13(16-9-10)17-12-6-4-11(15)5-7-12/h3-9H,2,15H2,1H3,(H,16,17)
InChIKeyZYPZIBIDPPULSG-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.58
Rot. Bonds4

About ethyl 6-(4-aminoanilino)pyridine-3-carboxylate

ethyl 6-(4-aminoanilino)pyridine-3-carboxylate (PubChem CID 63214956) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 6-(4-aminoanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-aminoanilino)pyridine-3-carboxylate
PubChem CID63214956
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Nameethyl 6-(4-aminoanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Nc2ccc(N)cc2)nc1
InChIInChI=1S/C14H15N3O2/c1-2-19-14(18)10-3-8-13(16-9-10)17-12-6-4-11(15)5-7-12/h3-9H,2,15H2,1H3,(H,16,17)
InChIKeyZYPZIBIDPPULSG-UHFFFAOYSA-N
XLogP2.58
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(4-aminoanilino)pyridine-3-carboxamide
CID 24711286
ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxylate
CID 31535174
ethyl 4-[[6-(4-chloroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163491
ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate
CID 82061056
ethyl 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-3-carboxylate
CID 32800817
ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109156091
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 4-aminobenzoate
CID 2337
methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020771
ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113021804
ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
CID 61065618
ethyl 4-[[5-(furan-2-carbonylamino)-2-pyridinyl]amino]benzoate
CID 113021798

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-aminoanilino)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(4-aminoanilino)pyridine-3-carboxylate (CID 63214956) is ethyl 6-(4-aminoanilino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-aminoanilino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(4-aminoanilino)pyridine-3-carboxylate is CCOC(=O)c1ccc(Nc2ccc(N)cc2)nc1.
What is the InChIKey of ethyl 6-(4-aminoanilino)pyridine-3-carboxylate?
The InChIKey is ZYPZIBIDPPULSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-19-14(18)10-3-8-13(16-9-10)17-12-6-4-11(15)5-7-12/h3-9H,2,15H2,1H3,(H,16,17).
What are the key properties of ethyl 6-(4-aminoanilino)pyridine-3-carboxylate?
ethyl 6-(4-aminoanilino)pyridine-3-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-aminoanilino)pyridine-3-carboxylate is sourced from PubChem (CID 63214956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).