ethyl 1-butyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate

C19H25NO2 — CID 102147760

IUPACethyl 1-butyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
SMILESCCCCN1C=CC(c2ccccc2)C(C(=O)OCC)=C1C
InChIInChI=1S/C19H25NO2/c1-4-6-13-20-14-12-17(16-10-8-7-9-11-16)18(15(20)3)19(21)22-5-2/h7-12,14,17H,4-6,13H2,1-3H3
InChIKeyOUIVIVKHMXIIAM-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.24
Rot. Bonds6

About ethyl 1-butyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate

ethyl 1-butyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate (PubChem CID 102147760) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is ethyl 1-butyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-butyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
PubChem CID102147760
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Nameethyl 1-butyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
SMILESCCCCN1C=CC(c2ccccc2)C(C(=O)OCC)=C1C
InChIInChI=1S/C19H25NO2/c1-4-6-13-20-14-12-17(16-10-8-7-9-11-16)18(15(20)3)19(21)22-5-2/h7-12,14,17H,4-6,13H2,1-3H3
InChIKeyOUIVIVKHMXIIAM-UHFFFAOYSA-N
XLogP4.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-butyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate?
The IUPAC name of ethyl 1-butyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate (CID 102147760) is ethyl 1-butyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-butyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-butyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate is CCCCN1C=CC(c2ccccc2)C(C(=O)OCC)=C1C.
What is the InChIKey of ethyl 1-butyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate?
The InChIKey is OUIVIVKHMXIIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-4-6-13-20-14-12-17(16-10-8-7-9-11-16)18(15(20)3)19(21)22-5-2/h7-12,14,17H,4-6,13H2,1-3H3.
What are the key properties of ethyl 1-butyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate?
ethyl 1-butyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-butyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 102147760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).