ethyl 6-(butylamino)-2-methyl-4-phenylpyridine-3-carboxylate

C19H24N2O2 — CID 71591622

IUPACethyl 6-(butylamino)-2-methyl-4-phenylpyridine-3-carboxylate
SMILESCCCCNc1cc(-c2ccccc2)c(C(=O)OCC)c(C)n1
InChIInChI=1S/C19H24N2O2/c1-4-6-12-20-17-13-16(15-10-8-7-9-11-15)18(14(3)21-17)19(22)23-5-2/h7-11,13H,4-6,12H2,1-3H3,(H,20,21)
InChIKeyLHIXDAZOUBFNNV-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.45
Rot. Bonds7

About ethyl 6-(butylamino)-2-methyl-4-phenylpyridine-3-carboxylate

ethyl 6-(butylamino)-2-methyl-4-phenylpyridine-3-carboxylate (PubChem CID 71591622) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is ethyl 6-(butylamino)-2-methyl-4-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(butylamino)-2-methyl-4-phenylpyridine-3-carboxylate
PubChem CID71591622
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Nameethyl 6-(butylamino)-2-methyl-4-phenylpyridine-3-carboxylate
SMILESCCCCNc1cc(-c2ccccc2)c(C(=O)OCC)c(C)n1
InChIInChI=1S/C19H24N2O2/c1-4-6-12-20-17-13-16(15-10-8-7-9-11-15)18(14(3)21-17)19(22)23-5-2/h7-11,13H,4-6,12H2,1-3H3,(H,20,21)
InChIKeyLHIXDAZOUBFNNV-UHFFFAOYSA-N
XLogP4.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(butylamino)-2-methyl-4-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(butylamino)-2-methyl-4-phenylpyridine-3-carboxylate (CID 71591622) is ethyl 6-(butylamino)-2-methyl-4-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(butylamino)-2-methyl-4-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(butylamino)-2-methyl-4-phenylpyridine-3-carboxylate is CCCCNc1cc(-c2ccccc2)c(C(=O)OCC)c(C)n1.
What is the InChIKey of ethyl 6-(butylamino)-2-methyl-4-phenylpyridine-3-carboxylate?
The InChIKey is LHIXDAZOUBFNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-6-12-20-17-13-16(15-10-8-7-9-11-15)18(14(3)21-17)19(22)23-5-2/h7-11,13H,4-6,12H2,1-3H3,(H,20,21).
What are the key properties of ethyl 6-(butylamino)-2-methyl-4-phenylpyridine-3-carboxylate?
ethyl 6-(butylamino)-2-methyl-4-phenylpyridine-3-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(butylamino)-2-methyl-4-phenylpyridine-3-carboxylate is sourced from PubChem (CID 71591622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).