(3-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate

C17H20N2O2 — CID 115498680

IUPAC(3-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
SMILESCCc1cccc(OC(=O)c2cccc(NC(C)C)n2)c1
InChIInChI=1S/C17H20N2O2/c1-4-13-7-5-8-14(11-13)21-17(20)15-9-6-10-16(19-15)18-12(2)3/h5-12H,4H2,1-3H3,(H,18,19)
InChIKeyBZCDYZWUKUEGOM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.68
Rot. Bonds5

About (3-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate

(3-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate (PubChem CID 115498680) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Name(3-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
PubChem CID115498680
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(3-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
SMILESCCc1cccc(OC(=O)c2cccc(NC(C)C)n2)c1
InChIInChI=1S/C17H20N2O2/c1-4-13-7-5-8-14(11-13)21-17(20)15-9-6-10-16(19-15)18-12(2)3/h5-12H,4H2,1-3H3,(H,18,19)
InChIKeyBZCDYZWUKUEGOM-UHFFFAOYSA-N
XLogP3.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498721
(2-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498775
(4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498727
(1-propan-2-ylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 116803064
(3-ethylphenyl) 3-methylbutanoate
CID 91711230
2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 106205643
2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498736
N-ethyl-N-(1-methoxypropan-2-yl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498270
1-(3-ethylphenoxy)ethanol
CID 66709778
N-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498522
N-(2-ethoxyethyl)-N-ethyl-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498461
(2S)-2-(3-ethylphenoxy)propanoic acid
CID 10845483

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate?
The IUPAC name of (3-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate (CID 115498680) is (3-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate.
What is the SMILES notation for (3-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate?
The canonical SMILES for (3-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate is CCc1cccc(OC(=O)c2cccc(NC(C)C)n2)c1.
What is the InChIKey of (3-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate?
The InChIKey is BZCDYZWUKUEGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-13-7-5-8-14(11-13)21-17(20)15-9-6-10-16(19-15)18-12(2)3/h5-12H,4H2,1-3H3,(H,18,19).
What are the key properties of (3-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate?
(3-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate is sourced from PubChem (CID 115498680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).