N-[3-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-N-pentylpyrrolidine-1-carboxamide

C22H31N3O2 — CID 70058325

IUPACN-[3-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-N-pentylpyrrolidine-1-carboxamide
SMILESCCCCCN(C(=O)N1CCCC1=O)N1CC=CC(c2ccc(C)cc2)C1
InChIInChI=1S/C22H31N3O2/c1-3-4-5-16-25(22(27)24-15-7-9-21(24)26)23-14-6-8-20(17-23)19-12-10-18(2)11-13-19/h6,8,10-13,20H,3-5,7,9,14-17H2,1-2H3
InChIKeyRAVFQJFXLIDGAA-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.10
Rot. Bonds6

About N-[3-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-N-pentylpyrrolidine-1-carboxamide

N-[3-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-N-pentylpyrrolidine-1-carboxamide (PubChem CID 70058325) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-N-pentylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-N-pentylpyrrolidine-1-carboxamide
PubChem CID70058325
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[3-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-N-pentylpyrrolidine-1-carboxamide
SMILESCCCCCN(C(=O)N1CCCC1=O)N1CC=CC(c2ccc(C)cc2)C1
InChIInChI=1S/C22H31N3O2/c1-3-4-5-16-25(22(27)24-15-7-9-21(24)26)23-14-6-8-20(17-23)19-12-10-18(2)11-13-19/h6,8,10-13,20H,3-5,7,9,14-17H2,1-2H3
InChIKeyRAVFQJFXLIDGAA-UHFFFAOYSA-N
XLogP4.10
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-N-pentylpyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-N-pentylpyrrolidine-1-carboxamide (CID 70058325) is N-[3-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-N-pentylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-N-pentylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-N-pentylpyrrolidine-1-carboxamide is CCCCCN(C(=O)N1CCCC1=O)N1CC=CC(c2ccc(C)cc2)C1.
What is the InChIKey of N-[3-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-N-pentylpyrrolidine-1-carboxamide?
The InChIKey is RAVFQJFXLIDGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-3-4-5-16-25(22(27)24-15-7-9-21(24)26)23-14-6-8-20(17-23)19-12-10-18(2)11-13-19/h6,8,10-13,20H,3-5,7,9,14-17H2,1-2H3.
What are the key properties of N-[3-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-N-pentylpyrrolidine-1-carboxamide?
N-[3-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-N-pentylpyrrolidine-1-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-N-pentylpyrrolidine-1-carboxamide is sourced from PubChem (CID 70058325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).