ethyl 4-ethyl-5-(ethylcarbamoyl)-6-methyl-2-phenylpyridine-3-carboxylate

C20H24N2O3 — CID 10807082

IUPACethyl 4-ethyl-5-(ethylcarbamoyl)-6-methyl-2-phenylpyridine-3-carboxylate
SMILESCCNC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1CC
InChIInChI=1S/C20H24N2O3/c1-5-15-16(19(23)21-6-2)13(4)22-18(14-11-9-8-10-12-14)17(15)20(24)25-7-3/h8-12H,5-7H2,1-4H3,(H,21,23)
InChIKeyPTSMDHBYBXIELD-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.55
Rot. Bonds6

About ethyl 4-ethyl-5-(ethylcarbamoyl)-6-methyl-2-phenylpyridine-3-carboxylate

ethyl 4-ethyl-5-(ethylcarbamoyl)-6-methyl-2-phenylpyridine-3-carboxylate (PubChem CID 10807082) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is ethyl 4-ethyl-5-(ethylcarbamoyl)-6-methyl-2-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-5-(ethylcarbamoyl)-6-methyl-2-phenylpyridine-3-carboxylate
PubChem CID10807082
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nameethyl 4-ethyl-5-(ethylcarbamoyl)-6-methyl-2-phenylpyridine-3-carboxylate
SMILESCCNC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1CC
InChIInChI=1S/C20H24N2O3/c1-5-15-16(19(23)21-6-2)13(4)22-18(14-11-9-8-10-12-14)17(15)20(24)25-7-3/h8-12H,5-7H2,1-4H3,(H,21,23)
InChIKeyPTSMDHBYBXIELD-UHFFFAOYSA-N
XLogP3.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-ethyl-5-(ethylcarbamoyl)-6-methyl-2-phenylpyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-5-(ethylcarbamoyl)-6-methyl-2-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-ethyl-5-(ethylcarbamoyl)-6-methyl-2-phenylpyridine-3-carboxylate (CID 10807082) is ethyl 4-ethyl-5-(ethylcarbamoyl)-6-methyl-2-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-5-(ethylcarbamoyl)-6-methyl-2-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-ethyl-5-(ethylcarbamoyl)-6-methyl-2-phenylpyridine-3-carboxylate is CCNC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1CC.
What is the InChIKey of ethyl 4-ethyl-5-(ethylcarbamoyl)-6-methyl-2-phenylpyridine-3-carboxylate?
The InChIKey is PTSMDHBYBXIELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-5-15-16(19(23)21-6-2)13(4)22-18(14-11-9-8-10-12-14)17(15)20(24)25-7-3/h8-12H,5-7H2,1-4H3,(H,21,23).
What are the key properties of ethyl 4-ethyl-5-(ethylcarbamoyl)-6-methyl-2-phenylpyridine-3-carboxylate?
ethyl 4-ethyl-5-(ethylcarbamoyl)-6-methyl-2-phenylpyridine-3-carboxylate has a molecular weight of 340.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-5-(ethylcarbamoyl)-6-methyl-2-phenylpyridine-3-carboxylate is sourced from PubChem (CID 10807082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).