ethyl 2-(methylamino)azuleno[2,1-b]pyridine-3-carboxylate

C17H16N2O2 — CID 19996719

IUPACethyl 2-(methylamino)azuleno[2,1-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c3cccccc-3cc2nc1NC
InChIInChI=1S/C17H16N2O2/c1-3-21-17(20)14-10-13-12-8-6-4-5-7-11(12)9-15(13)19-16(14)18-2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyBZUGZFYXBWHPNL-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.56
Rot. Bonds3

About ethyl 2-(methylamino)azuleno[2,1-b]pyridine-3-carboxylate

ethyl 2-(methylamino)azuleno[2,1-b]pyridine-3-carboxylate (PubChem CID 19996719) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl 2-(methylamino)azuleno[2,1-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(methylamino)azuleno[2,1-b]pyridine-3-carboxylate
PubChem CID19996719
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Nameethyl 2-(methylamino)azuleno[2,1-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c3cccccc-3cc2nc1NC
InChIInChI=1S/C17H16N2O2/c1-3-21-17(20)14-10-13-12-8-6-4-5-7-11(12)9-15(13)19-16(14)18-2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyBZUGZFYXBWHPNL-UHFFFAOYSA-N
XLogP3.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
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ethyl 5-(methylamino)-3-phenyl-1,2,4-triazine-6-carboxylate
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methyl 4-[6-[3-(4-ethoxycarbonylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxalin-2-yl]benzoate
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ethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate
CID 70396007
ethyl 5-phenyl-3-phenylmethoxyquinoline-2-carboxylate
CID 167491875
ethyl 5-(5,6-diphenyl-1,2,4-triazin-3-yl)-2,6-dimethylpyridine-3-carboxylate
CID 139072856
ethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 165350273
ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate
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ethyl 2-aminoazulene-1-carboxylate
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ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate
CID 77231539

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)azuleno[2,1-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(methylamino)azuleno[2,1-b]pyridine-3-carboxylate (CID 19996719) is ethyl 2-(methylamino)azuleno[2,1-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(methylamino)azuleno[2,1-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(methylamino)azuleno[2,1-b]pyridine-3-carboxylate is CCOC(=O)c1cc2c3cccccc-3cc2nc1NC.
What is the InChIKey of ethyl 2-(methylamino)azuleno[2,1-b]pyridine-3-carboxylate?
The InChIKey is BZUGZFYXBWHPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-3-21-17(20)14-10-13-12-8-6-4-5-7-11(12)9-15(13)19-16(14)18-2/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of ethyl 2-(methylamino)azuleno[2,1-b]pyridine-3-carboxylate?
ethyl 2-(methylamino)azuleno[2,1-b]pyridine-3-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)azuleno[2,1-b]pyridine-3-carboxylate is sourced from PubChem (CID 19996719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).