5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

C16H23N3O2 — CID 42882093

IUPAC5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCCCCN1CC(C(=O)NCc2ccncc2)CC1=O
InChIInChI=1S/C16H23N3O2/c1-2-3-4-9-19-12-14(10-15(19)20)16(21)18-11-13-5-7-17-8-6-13/h5-8,14H,2-4,9-12H2,1H3,(H,18,21)
InChIKeyFPESMZNKCMJFIV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.74
Rot. Bonds7

About 5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 42882093) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID42882093
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCCCCN1CC(C(=O)NCc2ccncc2)CC1=O
InChIInChI=1S/C16H23N3O2/c1-2-3-4-9-19-12-14(10-15(19)20)16(21)18-11-13-5-7-17-8-6-13/h5-8,14H,2-4,9-12H2,1H3,(H,18,21)
InChIKeyFPESMZNKCMJFIV-UHFFFAOYSA-N
XLogP1.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 113185012
N,1-didodecyl-5-oxopyrrolidine-3-carboxamide
CID 66680655
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113182010
5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185311
(3S)-1-butyl-5-oxo-N-[4-(pyridin-4-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 41457449
1-heptyl-5-oxopyrrolidine-3-carbohydrazide
CID 54792515
(3S)-1-(4-chlorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 7337164
1-(4-fluorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 6458569
N-[(3,4-dimethoxyphenyl)methyl]-5-oxo-1-propylpyrrolidine-3-carboxamide
CID 113181947
methyl 2-[[(3S)-1-butyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9398138
(3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 97123545

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (CID 42882093) is 5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is CCCCCN1CC(C(=O)NCc2ccncc2)CC1=O.
What is the InChIKey of 5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is FPESMZNKCMJFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-3-4-9-19-12-14(10-15(19)20)16(21)18-11-13-5-7-17-8-6-13/h5-8,14H,2-4,9-12H2,1H3,(H,18,21).
What are the key properties of 5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42882093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).