(2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide

C17H25N3O2 — CID 97027555

IUPAC(2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCCCCCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1
InChIInChI=1S/C17H25N3O2/c1-3-4-5-6-10-19-17(22)14-11-15(21)20(2)16(14)13-8-7-9-18-12-13/h7-9,12,14,16H,3-6,10-11H2,1-2H3,(H,19,22)/t14-,16+/m0/s1
InChIKeyFYGPKFTTYUVHCF-GOEBONIOSA-N
MW303.41 g/mol
LogP2.30
Rot. Bonds7

About (2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide

(2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 97027555) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID97027555
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCCCCCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1
InChIInChI=1S/C17H25N3O2/c1-3-4-5-6-10-19-17(22)14-11-15(21)20(2)16(14)13-8-7-9-18-12-13/h7-9,12,14,16H,3-6,10-11H2,1-2H3,(H,19,22)/t14-,16+/m0/s1
InChIKeyFYGPKFTTYUVHCF-GOEBONIOSA-N
XLogP2.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.30
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

N-(3-aminopropyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 175604220
1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 56806046
(2S,3S)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 135254781
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 169159637
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 176650803
(2R,3R)-N-[(1-ethylsulfanylcyclopropyl)methyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 136584447
methyl (3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylate
CID 58291565
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219
(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 160516256
(2S,3S)-N-butyl-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95740531
(2S,3S)-1-methyl-N-[2-[4-[4-[(4-methylcyclohexyl)methylamino]-4-oxobutoxy]cyclohexyl]oxyethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 177357969
2-[(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 119348829

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide (CID 97027555) is (2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide is CCCCCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1.
What is the InChIKey of (2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is FYGPKFTTYUVHCF-GOEBONIOSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-4-5-6-10-19-17(22)14-11-15(21)20(2)16(14)13-8-7-9-18-12-13/h7-9,12,14,16H,3-6,10-11H2,1-2H3,(H,19,22)/t14-,16+/m0/s1.
What are the key properties of (2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
(2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 97027555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).