4-methyl-N-[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C19H23N5O2 — CID 158525036

IUPAC4-methyl-N-[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)Nc2nnc(-c3ccc(N4CCCC4)cc3)o2)CC1
InChIInChI=1S/C19H23N5O2/c1-14-8-12-24(13-9-14)19(25)20-18-22-21-17(26-18)15-4-6-16(7-5-15)23-10-2-3-11-23/h4-8H,2-3,9-13H2,1H3,(H,20,22,25)
InChIKeyHMRNOAPGYOAANJ-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.52
Rot. Bonds3

About 4-methyl-N-[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-methyl-N-[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 158525036) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-methyl-N-[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID158525036
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-methyl-N-[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)Nc2nnc(-c3ccc(N4CCCC4)cc3)o2)CC1
InChIInChI=1S/C19H23N5O2/c1-14-8-12-24(13-9-14)19(25)20-18-22-21-17(26-18)15-4-6-16(7-5-15)23-10-2-3-11-23/h4-8H,2-3,9-13H2,1H3,(H,20,22,25)
InChIKeyHMRNOAPGYOAANJ-UHFFFAOYSA-N
XLogP3.52
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-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 4-methyl-N-[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-methyl-N-[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 158525036) is 4-methyl-N-[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is CC1=CCN(C(=O)Nc2nnc(-c3ccc(N4CCCC4)cc3)o2)CC1.
What is the InChIKey of 4-methyl-N-[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is HMRNOAPGYOAANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14-8-12-24(13-9-14)19(25)20-18-22-21-17(26-18)15-4-6-16(7-5-15)23-10-2-3-11-23/h4-8H,2-3,9-13H2,1H3,(H,20,22,25).
What are the key properties of 4-methyl-N-[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-methyl-N-[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 158525036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).