5-ethoxy-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide

C20H25N3O2 — CID 53251885

IUPAC5-ethoxy-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(CCC3CCCN3)cc2)nc1
InChIInChI=1S/C20H25N3O2/c1-2-25-18-11-12-19(22-14-18)20(24)23-17-9-6-15(7-10-17)5-8-16-4-3-13-21-16/h6-7,9-12,14,16,21H,2-5,8,13H2,1H3,(H,23,24)
InChIKeyHHJWTSKNRWFIQO-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.42
Rot. Bonds7

About 5-ethoxy-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide

5-ethoxy-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide (PubChem CID 53251885) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-ethoxy-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide
PubChem CID53251885
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5-ethoxy-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(CCC3CCCN3)cc2)nc1
InChIInChI=1S/C20H25N3O2/c1-2-25-18-11-12-19(22-14-18)20(24)23-17-9-6-15(7-10-17)5-8-16-4-3-13-21-16/h6-7,9-12,14,16,21H,2-5,8,13H2,1H3,(H,23,24)
InChIKeyHHJWTSKNRWFIQO-UHFFFAOYSA-N
XLogP3.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-ethoxy-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide 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 5-ethoxy-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-ethoxy-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide (CID 53251885) is 5-ethoxy-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-ethoxy-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-ethoxy-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide is CCOc1ccc(C(=O)Nc2ccc(CCC3CCCN3)cc2)nc1.
What is the InChIKey of 5-ethoxy-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is HHJWTSKNRWFIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-25-18-11-12-19(22-14-18)20(24)23-17-9-6-15(7-10-17)5-8-16-4-3-13-21-16/h6-7,9-12,14,16,21H,2-5,8,13H2,1H3,(H,23,24).
What are the key properties of 5-ethoxy-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide?
5-ethoxy-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 53251885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).